PubChemLite - Vx993 (C22H23F5N2O5)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@H]([C@@H](O[C@@]1(C)C(F)(F)F)C(=O)NC2=CN=C(C=C2)[C@H](CO)O)C3=C(C(=C(C=C3)F)F)OC

InChI

InChI=1S/C22H23F5N2O5/c1-10-16(12-5-6-13(23)17(24)18(12)33-3)19(34-21(10,2)22(25,26)27)20(32)29-11-4-7-14(28-8-11)15(31)9-30/h4-8,10,15-16,19,30-31H,9H2,1-3H3,(H,29,32)/t10-,15-,16-,19+,21+/m0/s1

InChIKey

HXXNLIYFNQKZHX-PEHJGKTGSA-N

Compound name

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-N-[6-[(1R)-1,2-dihydroxyethyl]pyridin-3-yl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-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]+	491.15998	210.5
[M+Na]+	513.14192	218.2
[M-H]-	489.14542	211.6
[M+NH4]+	508.18652	217.6
[M+K]+	529.11586	214.6
[M+H-H2O]+	473.14996	199.2
[M+HCOO]-	535.15090	219.3
[M+CH3COO]-	549.16655	237.9
[M+Na-2H]-	511.12737	205.9
[M]+	490.15215	206.9
[M]-	490.15325	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.15998

210.5

[M+Na]+

513.14192

218.2

[M-H]-

489.14542

211.6

[M+NH4]+

508.18652

217.6

[M+K]+

529.11586

214.6

[M+H-H2O]+

473.14996

199.2

[M+HCOO]-

535.15090

219.3

[M+CH3COO]-

549.16655

237.9

[M+Na-2H]-

511.12737

205.9

[M]+

490.15215

206.9

[M]-

490.15325

206.9

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

Vx993

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe