CID 474039

178980-16-0

Structural Information

Molecular Formula
C23H26Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CCCCC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C23H26Cl2N2OS/c1-16(2)22-23(29-20-13-18(24)12-19(25)14-20)27(21(15-28)26-22)11-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,12-14,16,28H,6-7,10-11,15H2,1-2H3
InChIKey
NLTMTKOAOAHMPN-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-(4-phenylbutyl)-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

448.1143 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.12158 204.5
[M+Na]+ 471.10352 213.4
[M-H]- 447.10702 210.1
[M+NH4]+ 466.14812 214.7
[M+K]+ 487.07746 204.1
[M+H-H2O]+ 431.11156 196.2
[M+HCOO]- 493.11250 208.5
[M+CH3COO]- 507.12815 212.7
[M+Na-2H]- 469.08897 198.8
[M]+ 448.11375 212.4
[M]- 448.11485 212.4
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