CID 374923

Nsc653508

Structural Information

Molecular Formula
C17H16N2OS
SMILES
C1C(S1)CN2C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C17H16N2OS/c20-17-18(10-13-6-2-1-3-7-13)15-8-4-5-9-16(15)19(17)11-14-12-21-14/h1-9,14H,10-12H2
InChIKey
RKSFZQLJGXVSBG-UHFFFAOYSA-N
Compound name
1-benzyl-3-(thiiran-2-ylmethyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09833 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 166.6
[M+Na]+ 319.08755 179.5
[M-H]- 295.09105 175.8
[M+NH4]+ 314.13215 178.4
[M+K]+ 335.06149 172.4
[M+H-H2O]+ 279.09559 158.6
[M+HCOO]- 341.09653 185.6
[M+CH3COO]- 355.11218 178.8
[M+Na-2H]- 317.07300 169.3
[M]+ 296.09778 173.5
[M]- 296.09888 173.5
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.