CID 854543

325720-87-4

Structural Information

Molecular Formula
C16H14N2S
SMILES
CC1=CC=CC=C1N2C=C(NC2=S)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2S/c1-12-7-5-6-10-15(12)18-11-14(17-16(18)19)13-8-3-2-4-9-13/h2-11H,1H3,(H,17,19)
InChIKey
COUIQLIGGKIRIA-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-5-phenyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.08777 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09505 159.4
[M+Na]+ 289.07699 170.3
[M-H]- 265.08049 166.5
[M+NH4]+ 284.12159 175.5
[M+K]+ 305.05093 162.7
[M+H-H2O]+ 249.08503 151.5
[M+HCOO]- 311.08597 176.7
[M+CH3COO]- 325.10162 171.8
[M+Na-2H]- 287.06244 160.4
[M]+ 266.08722 159.7
[M]- 266.08832 159.7
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

patents stripe