CID 474101

178980-56-8

Structural Information

Molecular Formula
C24H28Cl2N2O2S
SMILES
CC(C)C1=C(N(C(=N1)CCCOCC2=CC=CC=C2)CCO)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C24H28Cl2N2O2S/c1-17(2)23-24(31-21-14-19(25)13-20(26)15-21)28(10-11-29)22(27-23)9-6-12-30-16-18-7-4-3-5-8-18/h3-5,7-8,13-15,17,29H,6,9-12,16H2,1-2H3
InChIKey
TWFYOKYRVVIOPN-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenyl)sulfanyl-2-(3-phenylmethoxypropyl)-4-propan-2-ylimidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

478.12485 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.13213 211.4
[M+Na]+ 501.11407 219.5
[M-H]- 477.11757 216.8
[M+NH4]+ 496.15867 220.2
[M+K]+ 517.08801 210.7
[M+H-H2O]+ 461.12211 202.7
[M+HCOO]- 523.12305 215.2
[M+CH3COO]- 537.13870 231.3
[M+Na-2H]- 499.09952 205.4
[M]+ 478.12430 220.9
[M]- 478.12540 220.9
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