CID 473950

178979-31-2

Structural Information

Molecular Formula
C15H17Cl2N3O2S
SMILES
CC(C)C1=C(N(C(=N1)COC(=O)N)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H17Cl2N3O2S/c1-8(2)13-14(20(3)12(19-13)7-22-15(18)21)23-11-5-9(16)4-10(17)6-11/h4-6,8H,7H2,1-3H3,(H2,18,21)
InChIKey
FWSITQNMHYTXQJ-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

373.04184 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04912 182.3
[M+Na]+ 396.03106 192.5
[M-H]- 372.03456 186.7
[M+NH4]+ 391.07566 195.8
[M+K]+ 412.00500 186.1
[M+H-H2O]+ 356.03910 176.0
[M+HCOO]- 418.04004 188.7
[M+CH3COO]- 432.05569 216.0
[M+Na-2H]- 394.01651 177.3
[M]+ 373.04129 189.8
[M]- 373.04239 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe