CID 474038

178980-15-9

Structural Information

Molecular Formula
C22H24Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CCCC2=CC=CC=C2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C22H24Cl2N2OS/c1-15(2)21-22(28-19-12-17(23)11-18(24)13-19)26(20(14-27)25-21)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13,15,27H,6,9-10,14H2,1-2H3
InChIKey
IYUXLJKAPLAXKT-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-(3-phenylpropyl)-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

434.09863 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10591 200.3
[M+Na]+ 457.08785 209.7
[M-H]- 433.09135 206.0
[M+NH4]+ 452.13245 211.1
[M+K]+ 473.06179 200.5
[M+H-H2O]+ 417.09589 192.2
[M+HCOO]- 479.09683 204.6
[M+CH3COO]- 493.11248 208.9
[M+Na-2H]- 455.07330 195.1
[M]+ 434.09808 207.8
[M]- 434.09918 207.8
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.