CID 3080486

Methanone, (5-chloro-2-((2-((4,5-dihydro-1h-imidazol-2-yl)thio)ethyl)amino)phenyl)phenyl-

Structural Information

Molecular Formula
C18H18ClN3OS
SMILES
C1CN=C(N1)SCCNC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H18ClN3OS/c19-14-6-7-16(20-10-11-24-18-21-8-9-22-18)15(12-14)17(23)13-4-2-1-3-5-13/h1-7,12,20H,8-11H2,(H,21,22)
InChIKey
CDEXPVJGPNJCGH-UHFFFAOYSA-N
Compound name
[5-chloro-2-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethylamino]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.0859 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09318 181.7
[M+Na]+ 382.07512 188.6
[M-H]- 358.07862 187.4
[M+NH4]+ 377.11972 193.7
[M+K]+ 398.04906 180.6
[M+H-H2O]+ 342.08316 173.1
[M+HCOO]- 404.08410 192.4
[M+CH3COO]- 418.09975 190.9
[M+Na-2H]- 380.06057 181.1
[M]+ 359.08535 182.9
[M]- 359.08645 182.9
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