CID 474037

178980-14-8

Structural Information

Molecular Formula
C21H22Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CCC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C21H22Cl2N2OS/c1-14(2)20-21(27-18-11-16(22)10-17(23)12-18)25(19(13-26)24-20)9-8-15-6-4-3-5-7-15/h3-7,10-12,14,26H,8-9,13H2,1-2H3
InChIKey
NWMBSAWYIYEWBV-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-(2-phenylethyl)-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

420.08298 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.09026 196.1
[M+Na]+ 443.07220 205.9
[M-H]- 419.07570 202.0
[M+NH4]+ 438.11680 207.4
[M+K]+ 459.04614 197.0
[M+H-H2O]+ 403.08024 188.2
[M+HCOO]- 465.08118 200.7
[M+CH3COO]- 479.09683 205.1
[M+Na-2H]- 441.05765 191.3
[M]+ 420.08243 203.3
[M]- 420.08353 203.3
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

patents stripe