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
5
Annotation Hits

444
References

1635
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.