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]+ 241.07939 151.0
[M+Na]+ 263.06133 164.2
[M-H]- 239.06483 157.7
[M+NH4]+ 258.10593 170.3
[M+K]+ 279.03527 157.9
[M+H-H2O]+ 223.06937 143.9
[M+HCOO]- 285.07031 170.3
[M+CH3COO]- 299.08596 165.1
[M+Na-2H]- 261.04678 155.1
[M]+ 240.07156 155.2
[M]- 240.07266 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.