CID 374915

Nsc653500

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CN1C2=CC=CC=C2N(C1=O)CC3CS3
InChI
InChI=1S/C11H12N2OS/c1-12-9-4-2-3-5-10(9)13(11(12)14)6-8-7-15-8/h2-5,8H,6-7H2,1H3
InChIKey
XJXHNEXIORRGTH-UHFFFAOYSA-N
Compound name
1-methyl-3-(thiiran-2-ylmethyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 147.6
[M+Na]+ 243.05625 161.7
[M-H]- 219.05975 154.4
[M+NH4]+ 238.10085 162.8
[M+K]+ 259.03019 156.0
[M+H-H2O]+ 203.06429 140.8
[M+HCOO]- 265.06523 166.7
[M+CH3COO]- 279.08088 161.3
[M+Na-2H]- 241.04170 150.8
[M]+ 220.06648 155.1
[M]- 220.06758 155.1
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.