PubChemLite - Cp-481715 (C26H31FN4O4)

Structural Information

Molecular Formula

SMILES

CC(C)(CC[C@H](C[C@@H]([C@H](CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)O

InChI

InChI=1S/C26H31FN4O4/c1-26(2,35)11-10-17(24(28)33)14-23(32)21(13-16-6-5-7-18(27)12-16)31-25(34)22-15-29-19-8-3-4-9-20(19)30-22/h3-9,12,15,17,21,23,32,35H,10-11,13-14H2,1-2H3,(H2,28,33)(H,31,34)/t17-,21+,23+/m1/s1

InChIKey

YEQJVHQCUDMXFG-FHZYATBESA-N

Compound name

N-[(2S,3S,5R)-5-carbamoyl-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonan-2-yl]quinoxaline-2-carboxamide

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]+	483.24022	215.1
[M+Na]+	505.22216	215.5
[M-H]-	481.22566	214.3
[M+NH4]+	500.26676	217.5
[M+K]+	521.19610	211.4
[M+H-H2O]+	465.23020	204.2
[M+HCOO]-	527.23114	224.3
[M+CH3COO]-	541.24679	241.9
[M+Na-2H]-	503.20761	213.9
[M]+	482.23239	212.5
[M]-	482.23349	212.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.24022

215.1

[M+Na]+

505.22216

215.5

[M-H]-

481.22566

214.3

[M+NH4]+

500.26676

217.5

[M+K]+

521.19610

211.4

[M+H-H2O]+

465.23020

204.2

[M+HCOO]-

527.23114

224.3

[M+CH3COO]-

541.24679

241.9

[M+Na-2H]-

503.20761

213.9

[M]+

482.23239

212.5

[M]-

482.23349

212.5

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

Cp-481715

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe