CID 474036

178980-13-7

Structural Information

Molecular Formula
C24H22Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CC2=CC=CC3=CC=CC=C32)SC4=CC(=CC(=C4)Cl)Cl
InChI
InChI=1S/C24H22Cl2N2OS/c1-15(2)23-24(30-20-11-18(25)10-19(26)12-20)28(22(14-29)27-23)13-17-8-5-7-16-6-3-4-9-21(16)17/h3-12,15,29H,13-14H2,1-2H3
InChIKey
HYMJTIFUWZMACL-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-(naphthalen-1-ylmethyl)-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.08298 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.09026 205.7
[M+Na]+ 479.07220 217.4
[M-H]- 455.07570 212.9
[M+NH4]+ 474.11680 216.7
[M+K]+ 495.04614 207.7
[M+H-H2O]+ 439.08024 197.6
[M+HCOO]- 501.08118 210.5
[M+CH3COO]- 515.09683 214.8
[M+Na-2H]- 477.05765 202.7
[M]+ 456.08243 214.9
[M]- 456.08353 214.9
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

No patent data available for this compound.