CID 503946

2-benzylsulfanyl-1-(2-chlorophenylamino)-4-methyl-5-phenyl-1h-imidazole

Structural Information

Molecular Formula
C23H20ClN3S
SMILES
CC1=C(N(C(=N1)SCC2=CC=CC=C2)NC3=CC=CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H20ClN3S/c1-17-22(19-12-6-3-7-13-19)27(26-21-15-9-8-14-20(21)24)23(25-17)28-16-18-10-4-2-5-11-18/h2-15,26H,16H2,1H3
InChIKey
OVCGGVWWQAEYDS-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-N-(2-chlorophenyl)-4-methyl-5-phenylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.10666 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.11394 196.1
[M+Na]+ 428.09588 205.7
[M-H]- 404.09938 206.5
[M+NH4]+ 423.14048 207.1
[M+K]+ 444.06982 196.1
[M+H-H2O]+ 388.10392 185.8
[M+HCOO]- 450.10486 209.7
[M+CH3COO]- 464.12051 205.9
[M+Na-2H]- 426.08133 195.8
[M]+ 405.10611 200.3
[M]- 405.10721 200.3
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.