PubChemLite - Azd7507 (C23H27FN6O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)NC2=C(N=NC3=CC(=C(C=C32)N4CCN(CC4)CCO)OC)C(=O)N)F

InChI

InChI=1S/C23H27FN6O3/c1-14-3-4-17(16(24)11-14)26-21-15-12-19(30-7-5-29(6-8-30)9-10-31)20(33-2)13-18(15)27-28-22(21)23(25)32/h3-4,11-13,31H,5-10H2,1-2H3,(H2,25,32)(H,26,27)

InChIKey

CPDGCAFPSYOTGO-UHFFFAOYSA-N

Compound name

4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide

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]+	455.22014	213.2
[M+Na]+	477.20208	219.0
[M-H]-	453.20558	215.3
[M+NH4]+	472.24668	215.6
[M+K]+	493.17602	211.9
[M+H-H2O]+	437.21012	199.5
[M+HCOO]-	499.21106	224.0
[M+CH3COO]-	513.22671	239.8
[M+Na-2H]-	475.18753	212.6
[M]+	454.21231	209.8
[M]-	454.21341	209.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.22014

213.2

[M+Na]+

477.20208

219.0

[M-H]-

453.20558

215.3

[M+NH4]+

472.24668

215.6

[M+K]+

493.17602

211.9

[M+H-H2O]+

437.21012

199.5

[M+HCOO]-

499.21106

224.0

[M+CH3COO]-

513.22671

239.8

[M+Na-2H]-

475.18753

212.6

[M]+

454.21231

209.8

[M]-

454.21341

209.8

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

Azd7507

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe