PubChemLite - Cgp-20712 (C23H25F3N4O5)

Structural Information

Molecular Formula

SMILES

CN1C=C(N=C1C2=CC=C(C=C2)OCC(CNCCOC3=CC(=C(C=C3)O)C(=O)N)O)C(F)(F)F

InChI

InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)

InChIKey

GKJZEKSHCJELPL-UHFFFAOYSA-N

Compound name

2-hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]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]+	495.18498	212.2
[M+Na]+	517.16692	216.7
[M-H]-	493.17042	213.0
[M+NH4]+	512.21152	215.7
[M+K]+	533.14086	211.9
[M+H-H2O]+	477.17496	199.5
[M+HCOO]-	539.17590	225.6
[M+CH3COO]-	553.19155	240.4
[M+Na-2H]-	515.15237	209.3
[M]+	494.17715	210.9
[M]-	494.17825	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.18498

212.2

[M+Na]+

517.16692

216.7

[M-H]-

493.17042

213.0

[M+NH4]+

512.21152

215.7

[M+K]+

533.14086

211.9

[M+H-H2O]+

477.17496

199.5

[M+HCOO]-

539.17590

225.6

[M+CH3COO]-

553.19155

240.4

[M+Na-2H]-

515.15237

209.3

[M]+

494.17715

210.9

[M]-

494.17825

210.9

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

Cgp-20712

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe