CID 154700077

Ns00117787

Structural Information

Molecular Formula
C17H16FN3O3S
SMILES
C1CC1COC2=CC(=NC=C2)CS(=O)C3=NC4=CC(=C(C=C4N3)F)O
InChI
InChI=1S/C17H16FN3O3S/c18-13-6-14-15(7-16(13)22)21-17(20-14)25(23)9-11-5-12(3-4-19-11)24-8-10-1-2-10/h3-7,10,22H,1-2,8-9H2,(H,20,21)
InChIKey
XDFQGBNGMWAJQY-UHFFFAOYSA-N
Compound name
2-[[4-(cyclopropylmethoxy)pyridin-2-yl]methylsulfinyl]-6-fluoro-1H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.08963 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09691 178.0
[M+Na]+ 384.07885 189.8
[M-H]- 360.08235 182.2
[M+NH4]+ 379.12345 184.4
[M+K]+ 400.05279 181.3
[M+H-H2O]+ 344.08689 169.5
[M+HCOO]- 406.08783 191.1
[M+CH3COO]- 420.10348 187.4
[M+Na-2H]- 382.06430 178.3
[M]+ 361.08908 183.7
[M]- 361.09018 183.7
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

No patent data available for this compound.