PubChemLite - Azd7624 (C27H30FN5O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1F)C(=O)NC2CC2)N3C=CN=C(C3=O)NC4(CC4)C5=CC=CC=C5OCCNC

InChI

InChI=1S/C27H30FN5O3/c1-17-21(28)15-18(25(34)31-19-7-8-19)16-22(17)33-13-11-30-24(26(33)35)32-27(9-10-27)20-5-3-4-6-23(20)36-14-12-29-2/h3-6,11,13,15-16,19,29H,7-10,12,14H2,1-2H3,(H,30,32)(H,31,34)

InChIKey

NNKPHNTWNILINE-UHFFFAOYSA-N

Compound name

N-cyclopropyl-3-fluoro-4-methyl-5-[3-[[1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxopyrazin-1-yl]benzamide

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]+	492.24056	213.2
[M+Na]+	514.22250	218.9
[M-H]-	490.22600	223.2
[M+NH4]+	509.26710	209.5
[M+K]+	530.19644	213.5
[M+H-H2O]+	474.23054	204.5
[M+HCOO]-	536.23148	231.6
[M+CH3COO]-	550.24713	249.6
[M+Na-2H]-	512.20795	213.1
[M]+	491.23273	217.8
[M]-	491.23383	217.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

492.24056

213.2

[M+Na]+

514.22250

218.9

[M-H]-

490.22600

223.2

[M+NH4]+

509.26710

209.5

[M+K]+

530.19644

213.5

[M+H-H2O]+

474.23054

204.5

[M+HCOO]-

536.23148

231.6

[M+CH3COO]-

550.24713

249.6

[M+Na-2H]-

512.20795

213.1

[M]+

491.23273

217.8

[M]-

491.23383

217.8

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

Azd7624

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe