CID 3009974

(1-methylbenzimidazol-2-yl)-phenyl-methanethiol

Structural Information

Molecular Formula
C15H14N2S
SMILES
CN1C2=CC=CC=C2N=C1C(C3=CC=CC=C3)S
InChI
InChI=1S/C15H14N2S/c1-17-13-10-6-5-9-12(13)16-15(17)14(18)11-7-3-2-4-8-11/h2-10,14,18H,1H3
InChIKey
OLVAHZHIHUMPKL-UHFFFAOYSA-N
Compound name
(1-methylbenzimidazol-2-yl)-phenylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08777 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09505 155.8
[M+Na]+ 277.07699 167.0
[M-H]- 253.08049 162.0
[M+NH4]+ 272.12159 174.1
[M+K]+ 293.05093 161.6
[M+H-H2O]+ 237.08503 148.3
[M+HCOO]- 299.08597 173.5
[M+CH3COO]- 313.10162 168.9
[M+Na-2H]- 275.06244 159.1
[M]+ 254.08722 160.1
[M]- 254.08832 160.1
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.