CID 473926

178979-07-2

Structural Information

Molecular Formula
C25H38Cl2N2OS
SMILES
CCCCCCCCCCCCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)CO
InChI
InChI=1S/C25H38Cl2N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-29-23(18-30)28-24(19(2)3)25(29)31-22-16-20(26)15-21(27)17-22/h15-17,19,30H,4-14,18H2,1-3H3
InChIKey
MQSIMNNILZXHAW-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-dodecyl-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

484.2082 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21548 217.5
[M+Na]+ 507.19742 224.0
[M-H]- 483.20092 219.0
[M+NH4]+ 502.24202 226.7
[M+K]+ 523.17136 214.4
[M+H-H2O]+ 467.20546 209.5
[M+HCOO]- 529.20640 219.3
[M+CH3COO]- 543.22205 236.2
[M+Na-2H]- 505.18287 208.6
[M]+ 484.20765 228.1
[M]- 484.20875 228.1
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.