CID 3061812

Brn 5538603

Structural Information

Molecular Formula
C14H12N2S
SMILES
CN1C2=CC=CC=C2N(C1=S)C3=CC=CC=C3
InChI
InChI=1S/C14H12N2S/c1-15-12-9-5-6-10-13(12)16(14(15)17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
NPORUDDRPYWKEW-UHFFFAOYSA-N
Compound name
1-methyl-3-phenylbenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07211 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.079386 151.0
[M+Na]+ 263.061328 164.2
[M-H]- 239.064834 157.7
[M+NH4]+ 258.105933 170.3
[M+K]+ 279.035268 157.9
[M+H-H2O]+ 223.069370 143.9
[M+HCOO]- 285.070311 170.3
[M+CH3COO]- 299.085961 165.1
[M+Na-2H]- 261.046776 155.1
[M]+ 240.07156142 155.3
[M]- 240.07265858 155.3
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.