PubChemLite - 722544-51-6 (C26H30FN7O3)

Structural Information

Molecular Formula

SMILES

CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO

InChI

InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)

InChIKey

QYZOGCMHVIGURT-UHFFFAOYSA-N

Compound name

2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide

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]+	508.24668	219.5
[M+Na]+	530.22862	229.4
[M+NH4]+	525.27322	221.8
[M+K]+	546.20256	225.3
[M-H]-	506.23212	222.0
[M+Na-2H]-	528.21407	225.5
[M]+	507.23885	221.1
[M]-	507.23995	221.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.24668

219.5

[M+Na]+

530.22862

229.4

[M+NH4]+

525.27322

221.8

[M+K]+

546.20256

225.3

[M-H]-

506.23212

222.0

[M+Na-2H]-

528.21407

225.5

[M]+

507.23885

221.1

[M]-

507.23995

221.1

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

722544-51-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe