CID 15981397

Vonoprazan

Structural Information

Molecular Formula
C17H16FN3O2S
SMILES
CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3
InChIKey
BFDBKMOZYNOTPK-UHFFFAOYSA-N
Compound name
1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

436
References

2027
Patents

345.09473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10201 178.4
[M+Na]+ 368.08395 188.1
[M-H]- 344.08745 185.3
[M+NH4]+ 363.12855 191.0
[M+K]+ 384.05789 181.7
[M+H-H2O]+ 328.09199 168.6
[M+HCOO]- 390.09293 195.5
[M+CH3COO]- 404.10858 209.8
[M+Na-2H]- 366.06940 180.5
[M]+ 345.09418 180.4
[M]- 345.09528 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe