PubChemLite - Fostemsavir (C25H26N7O8P)

Structural Information

Molecular Formula

SMILES

CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OC

InChI

InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)

InChIKey

SWMDAPWAQQTBOG-UHFFFAOYSA-N

Compound name

[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate

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]+	584.16528	222.8
[M+Na]+	606.14722	231.3
[M+NH4]+	601.19182	221.3
[M+K]+	622.12116	236.0
[M-H]-	582.15072	221.6
[M+Na-2H]-	604.13267	225.6
[M]+	583.15745	222.8
[M]-	583.15855	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

584.16528

222.8

[M+Na]+

606.14722

231.3

[M+NH4]+

601.19182

221.3

[M+K]+

622.12116

236.0

[M-H]-

582.15072

221.6

[M+Na-2H]-

604.13267

225.6

[M]+

583.15745

222.8

[M]-

583.15855

222.8

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

Fostemsavir

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe