CID 474103

178980-46-6

Structural Information

Molecular Formula
C19H24Cl2N4O4S
SMILES
CC(C)C1=C(N(C(=N1)CCCOC(=O)N)CCOC(=O)N)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C19H24Cl2N4O4S/c1-11(2)16-17(30-14-9-12(20)8-13(21)10-14)25(5-7-29-19(23)27)15(24-16)4-3-6-28-18(22)26/h8-11H,3-7H2,1-2H3,(H2,22,26)(H2,23,27)
InChIKey
YJDGZQFOGSWKBY-UHFFFAOYSA-N
Compound name
3-[1-(2-carbamoyloxyethyl)-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]propyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

474.08954 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.09682 207.1
[M+Na]+ 497.07876 213.8
[M-H]- 473.08226 210.5
[M+NH4]+ 492.12336 215.6
[M+K]+ 513.05270 207.9
[M+H-H2O]+ 457.08680 200.0
[M+HCOO]- 519.08774 212.4
[M+CH3COO]- 533.10339 235.8
[M+Na-2H]- 495.06421 200.0
[M]+ 474.08899 215.9
[M]- 474.09009 215.9
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

patents stripe