CID 474028

178980-09-1

Structural Information

Molecular Formula
C24H28Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CC2=CC=C(C=C2)C(C)(C)C)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C24H28Cl2N2OS/c1-15(2)22-23(30-20-11-18(25)10-19(26)12-20)28(21(14-29)27-22)13-16-6-8-17(9-7-16)24(3,4)5/h6-12,15,29H,13-14H2,1-5H3
InChIKey
KXROMBBHYSNUDG-UHFFFAOYSA-N
Compound name
[1-[(4-tert-butylphenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.12994 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.13722 210.3
[M+Na]+ 485.11916 219.8
[M-H]- 461.12266 216.5
[M+NH4]+ 480.16376 220.3
[M+K]+ 501.09310 211.0
[M+H-H2O]+ 445.12720 202.5
[M+HCOO]- 507.12814 212.4
[M+CH3COO]- 521.14379 230.5
[M+Na-2H]- 483.10461 204.4
[M]+ 462.12939 218.3
[M]- 462.13049 218.3
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.