PubChemLite - 2248154-85-8 (C26H30FN7O)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2CCN(CC2)C3=CN4C(=C(C=N4)C5=C6C=C(C(=CC6=NC=C5)F)OC)N=C3

InChI

InChI=1S/C26H30FN7O/c1-31-9-11-33(12-10-31)18-4-7-32(8-5-18)19-15-29-26-22(16-30-34(26)17-19)20-3-6-28-24-14-23(27)25(35-2)13-21(20)24/h3,6,13-18H,4-5,7-12H2,1-2H3

InChIKey

UYQADNMBNQEQQG-UHFFFAOYSA-N

Compound name

7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

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]+	476.25685	223.9
[M+Na]+	498.23879	230.8
[M-H]-	474.24229	226.8
[M+NH4]+	493.28339	224.6
[M+K]+	514.21273	220.3
[M+H-H2O]+	458.24683	206.3
[M+HCOO]-	520.24777	228.1
[M+CH3COO]-	534.26342	227.4
[M+Na-2H]-	496.22424	220.3
[M]+	475.24902	218.7
[M]-	475.25012	218.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.25685

223.9

[M+Na]+

498.23879

230.8

[M-H]-

474.24229

226.8

[M+NH4]+

493.28339

224.6

[M+K]+

514.21273

220.3

[M+H-H2O]+

458.24683

206.3

[M+HCOO]-

520.24777

228.1

[M+CH3COO]-

534.26342

227.4

[M+Na-2H]-

496.22424

220.3

[M]+

475.24902

218.7

[M]-

475.25012

218.7

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

2248154-85-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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