CID 474041

178980-18-2

Structural Information

Molecular Formula
C25H30Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CCCCCCC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C25H30Cl2N2OS/c1-18(2)24-25(31-22-15-20(26)14-21(27)16-22)29(23(17-30)28-24)13-9-4-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-12,14-16,18,30H,3-4,6,9-10,13,17H2,1-2H3
InChIKey
JCDUIRQXFBFLNY-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-(6-phenylhexyl)-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

476.1456 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.15288 212.9
[M+Na]+ 499.13482 220.9
[M-H]- 475.13832 218.0
[M+NH4]+ 494.17942 221.9
[M+K]+ 515.10876 211.1
[M+H-H2O]+ 459.14286 204.1
[M+HCOO]- 521.14380 216.2
[M+CH3COO]- 535.15945 232.1
[M+Na-2H]- 497.12027 206.2
[M]+ 476.14505 221.4
[M]- 476.14615 221.4
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