PubChemLite - Amg-900 (C28H21N7OS)

Structural Information

Molecular Formula

SMILES

CC1=CSC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N

InChI

InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)

InChIKey

IVUGFMLRJOCGAS-UHFFFAOYSA-N

Compound name

N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-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]+	504.16011	216.3
[M+Na]+	526.14205	226.8
[M-H]-	502.14555	227.2
[M+NH4]+	521.18665	218.2
[M+K]+	542.11599	215.8
[M+H-H2O]+	486.15009	203.3
[M+HCOO]-	548.15103	231.3
[M+CH3COO]-	562.16668	223.5
[M+Na-2H]-	524.12750	220.1
[M]+	503.15228	219.0
[M]-	503.15338	219.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.16011

216.3

[M+Na]+

526.14205

226.8

[M-H]-

502.14555

227.2

[M+NH4]+

521.18665

218.2

[M+K]+

542.11599

215.8

[M+H-H2O]+

486.15009

203.3

[M+HCOO]-

548.15103

231.3

[M+CH3COO]-

562.16668

223.5

[M+Na-2H]-

524.12750

220.1

[M]+

503.15228

219.0

[M]-

503.15338

219.0

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

Amg-900

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe