PubChemLite - 2364326-23-6 (C31H31FN8O3)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC5=NC=NN5C=C4)C)NC(=O)/C(=C/[C@H]6CCCN6C)/F

InChI

InChI=1S/C31H31FN8O3/c1-4-42-28-16-25-23(15-26(28)38-31(41)24(32)13-21-6-5-10-39(21)3)30(35-17-33-25)37-20-7-8-27(19(2)12-20)43-22-9-11-40-29(14-22)34-18-36-40/h7-9,11-18,21H,4-6,10H2,1-3H3,(H,38,41)(H,33,35,37)/b24-13-/t21-/m1/s1

InChIKey

HTAMCULFUCGZAM-FKYOTISTSA-N

Compound name

(Z)-N-[7-ethoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-2-fluoro-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide

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]+	583.25758	235.2
[M+Na]+	605.23952	240.7
[M-H]-	581.24302	242.1
[M+NH4]+	600.28412	234.6
[M+K]+	621.21346	232.6
[M+H-H2O]+	565.24756	220.5
[M+HCOO]-	627.24850	247.0
[M+CH3COO]-	641.26415	239.3
[M+Na-2H]-	603.22497	232.6
[M]+	582.24975	237.3
[M]-	582.25085	237.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.25758

235.2

[M+Na]+

605.23952

240.7

[M-H]-

581.24302

242.1

[M+NH4]+

600.28412

234.6

[M+K]+

621.21346

232.6

[M+H-H2O]+

565.24756

220.5

[M+HCOO]-

627.24850

247.0

[M+CH3COO]-

641.26415

239.3

[M+Na-2H]-

603.22497

232.6

[M]+

582.24975

237.3

[M]-

582.25085

237.3

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

2364326-23-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe