PubChemLite - 786684-28-4 (C26H30FN7O3)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

VSDDGQRRPZFYHV-UHFFFAOYSA-N

Compound name

2-[4-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]pyrazol-1-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	217.2
[M+Na]+	530.22862	221.5
[M-H]-	506.23212	221.7
[M+NH4]+	525.27322	219.5
[M+K]+	546.20256	215.4
[M+H-H2O]+	490.23666	202.9
[M+HCOO]-	552.23760	235.9
[M+CH3COO]-	566.25325	250.1
[M+Na-2H]-	528.21407	220.4
[M]+	507.23885	221.3
[M]-	507.23995	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.24668

217.2

[M+Na]+

530.22862

221.5

[M-H]-

506.23212

221.7

[M+NH4]+

525.27322

219.5

[M+K]+

546.20256

215.4

[M+H-H2O]+

490.23666

202.9

[M+HCOO]-

552.23760

235.9

[M+CH3COO]-

566.25325

250.1

[M+Na-2H]-

528.21407

220.4

[M]+

507.23885

221.3

[M]-

507.23995

221.3

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

786684-28-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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