CID 474105

178980-47-7

Structural Information

Molecular Formula
C18H22Cl2N4O4S
SMILES
CC(C)C1=C(N(C(=N1)COC(=O)N)CC(C)OC(=O)N)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C18H22Cl2N4O4S/c1-9(2)15-16(29-13-5-11(19)4-12(20)6-13)24(7-10(3)28-18(22)26)14(23-15)8-27-17(21)25/h4-6,9-10H,7-8H2,1-3H3,(H2,21,25)(H2,22,26)
InChIKey
SKRRNRYPFHSHLY-UHFFFAOYSA-N
Compound name
[1-(2-carbamoyloxypropyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

460.07388 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.08116 202.2
[M+Na]+ 483.06310 209.1
[M-H]- 459.06660 206.0
[M+NH4]+ 478.10770 211.3
[M+K]+ 499.03704 204.0
[M+H-H2O]+ 443.07114 195.7
[M+HCOO]- 505.07208 206.9
[M+CH3COO]- 519.08773 233.9
[M+Na-2H]- 481.04855 194.7
[M]+ 460.07333 210.3
[M]- 460.07443 210.3
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

patents stripe