CID 474048

178980-23-9

Structural Information

Molecular Formula
C22H24Cl2N4O2S
SMILES
CC(C)C1=C(N(C(=N1)COC(=O)N)CCCC2=CC=CC=N2)SC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C22H24Cl2N4O2S/c1-14(2)20-21(31-18-11-15(23)10-16(24)12-18)28(19(27-20)13-30-22(25)29)9-5-7-17-6-3-4-8-26-17/h3-4,6,8,10-12,14H,5,7,9,13H2,1-2H3,(H2,25,29)
InChIKey
PLKTWXSIBNGNGG-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(3-pyridin-2-ylpropyl)imidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

478.0997 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.10698 209.7
[M+Na]+ 501.08892 218.1
[M-H]- 477.09242 215.1
[M+NH4]+ 496.13352 217.1
[M+K]+ 517.06286 210.0
[M+H-H2O]+ 461.09696 200.4
[M+HCOO]- 523.09790 214.0
[M+CH3COO]- 537.11355 234.5
[M+Na-2H]- 499.07437 204.1
[M]+ 478.09915 217.9
[M]- 478.10025 217.9
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.