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 185.3
[M+Na]+ 384.07885 199.2
[M+NH4]+ 379.12345 191.7
[M+K]+ 400.05279 194.1
[M-H]- 360.08235 193.4
[M+Na-2H]- 382.06430 192.8
[M]+ 361.08908 190.9
[M]- 361.09018 190.9
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.