CID 474082

178980-42-2

Structural Information

Molecular Formula
C18H22Cl2N4O4S
SMILES
CC(C)C1=C(N(C(=N1)CCOC(=O)N)CCOC(=O)N)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C18H22Cl2N4O4S/c1-10(2)15-16(29-13-8-11(19)7-12(20)9-13)24(4-6-28-18(22)26)14(23-15)3-5-27-17(21)25/h7-10H,3-6H2,1-2H3,(H2,21,25)(H2,22,26)
InChIKey
PAFLLKQFIMCHQX-UHFFFAOYSA-N
Compound name
2-[1-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethyl 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 202.9
[M+Na]+ 483.06310 210.1
[M-H]- 459.06660 206.5
[M+NH4]+ 478.10770 212.0
[M+K]+ 499.03704 204.4
[M+H-H2O]+ 443.07114 196.1
[M+HCOO]- 505.07208 208.5
[M+CH3COO]- 519.08773 233.0
[M+Na-2H]- 481.04855 196.3
[M]+ 460.07333 211.4
[M]- 460.07443 211.4
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