CID 474040

178980-17-1

Structural Information

Molecular Formula
C24H28Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CCCCCC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C24H28Cl2N2OS/c1-17(2)23-24(30-21-14-19(25)13-20(26)15-21)28(22(16-29)27-23)12-8-4-7-11-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,17,29H,4,7-8,11-12,16H2,1-2H3
InChIKey
SYLVFRFMWRPLES-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-(5-phenylpentyl)-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

462.12994 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.13722 208.7
[M+Na]+ 485.11916 217.1
[M-H]- 461.12266 214.1
[M+NH4]+ 480.16376 218.3
[M+K]+ 501.09310 207.6
[M+H-H2O]+ 445.12720 200.2
[M+HCOO]- 507.12814 212.4
[M+CH3COO]- 521.14379 229.4
[M+Na-2H]- 483.10461 202.5
[M]+ 462.12939 216.9
[M]- 462.13049 216.9
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