CID 474062

178980-51-3

Structural Information

Molecular Formula
C20H21Cl2N3OS
SMILES
CC1=C(C=CC=N1)CN2C(=NC(=C2SC3=CC(=CC(=C3)Cl)Cl)C(C)C)CO
InChI
InChI=1S/C20H21Cl2N3OS/c1-12(2)19-20(27-17-8-15(21)7-16(22)9-17)25(18(11-26)24-19)10-14-5-4-6-23-13(14)3/h4-9,12,26H,10-11H2,1-3H3
InChIKey
NELPRYHMLUDWRD-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-[(2-methylpyridin-3-yl)methyl]-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

421.07825 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.08553 195.1
[M+Na]+ 444.06747 206.1
[M-H]- 420.07097 200.2
[M+NH4]+ 439.11207 205.3
[M+K]+ 460.04141 197.4
[M+H-H2O]+ 404.07551 186.8
[M+HCOO]- 466.07645 198.7
[M+CH3COO]- 480.09210 204.2
[M+Na-2H]- 442.05292 190.1
[M]+ 421.07770 202.7
[M]- 421.07880 202.7
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.