PubChemLite - 3-[2-(4-fluoroanilino)pyrimidin-4-yl]-n,2-bis(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (C29H19F3N6)

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C(=NN2C(=C1)NC3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C5=NC(=NC=C5)NC6=CC=C(C=C6)F

InChI

InChI=1S/C29H19F3N6/c30-19-6-4-18(5-7-19)28-27(24-16-17-33-29(36-24)35-23-14-10-21(32)11-15-23)25-2-1-3-26(38(25)37-28)34-22-12-8-20(31)9-13-22/h1-17,34H,(H,33,35,36)

InChIKey

WFDWFDPIUXCBBW-UHFFFAOYSA-N

Compound name

3-[2-(4-fluoroanilino)pyrimidin-4-yl]-N,2-bis(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	509.16960	221.1
[M+Na]+	531.15154	231.4
[M-H]-	507.15504	229.7
[M+NH4]+	526.19614	223.4
[M+K]+	547.12548	219.0
[M+H-H2O]+	491.15958	203.6
[M+HCOO]-	553.16052	238.2
[M+CH3COO]-	567.17617	227.6
[M+Na-2H]-	529.13699	223.6
[M]+	508.16177	218.9
[M]-	508.16287	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.16960

221.1

[M+Na]+

531.15154

231.4

[M-H]-

507.15504

229.7

[M+NH4]+

526.19614

223.4

[M+K]+

547.12548

219.0

[M+H-H2O]+

491.15958

203.6

[M+HCOO]-

553.16052

238.2

[M+CH3COO]-

567.17617

227.6

[M+Na-2H]-

529.13699

223.6

[M]+

508.16177

218.9

[M]-

508.16287

218.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3-[2-(4-fluoroanilino)pyrimidin-4-yl]-n,2-bis(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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