CID 474044

178980-74-0

Structural Information

Molecular Formula
C23H21Cl2N3OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CC2=CC3=CC=CC=C3N=C2)SC4=CC(=CC(=C4)Cl)Cl
InChI
InChI=1S/C23H21Cl2N3OS/c1-14(2)22-23(30-19-9-17(24)8-18(25)10-19)28(21(13-29)27-22)12-15-7-16-5-3-4-6-20(16)26-11-15/h3-11,14,29H,12-13H2,1-2H3
InChIKey
AXPBBNPKRZEJBJ-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(quinolin-3-ylmethyl)imidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

457.07825 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.08553 204.5
[M+Na]+ 480.06747 216.5
[M-H]- 456.07097 210.5
[M+NH4]+ 475.11207 214.1
[M+K]+ 496.04141 206.9
[M+H-H2O]+ 440.07551 195.6
[M+HCOO]- 502.07645 208.3
[M+CH3COO]- 516.09210 213.3
[M+Na-2H]- 478.05292 202.0
[M]+ 457.07770 213.6
[M]- 457.07880 213.6
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.