CID 142657211

Ns00117227

Structural Information

Molecular Formula
C17H16FN3O3S
SMILES
C1CC1COC2=CC(=NC=C2)CS(=O)(=O)C3=NC4=C(N3)C=C(C=C4)F
InChI
InChI=1S/C17H16FN3O3S/c18-12-3-4-15-16(7-12)21-17(20-15)25(22,23)10-13-8-14(5-6-19-13)24-9-11-1-2-11/h3-8,11H,1-2,9-10H2,(H,20,21)
InChIKey
FOTFMGNDPAPMPD-UHFFFAOYSA-N
Compound name
2-[[4-(cyclopropylmethoxy)-2-pyridinyl]methylsulfonyl]-6-fluoro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

361.08963 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09691 183.1
[M+Na]+ 384.07885 195.3
[M-H]- 360.08235 188.4
[M+NH4]+ 379.12345 189.9
[M+K]+ 400.05279 187.2
[M+H-H2O]+ 344.08689 174.3
[M+HCOO]- 406.08783 197.2
[M+CH3COO]- 420.10348 192.8
[M+Na-2H]- 382.06430 185.7
[M]+ 361.08908 189.3
[M]- 361.09018 189.3
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.