CID 473962

178979-43-6

Structural Information

Molecular Formula
C16H20ClN3O2S
SMILES
CCN1C(=NC(=C1SC2=CC(=CC=C2)Cl)C(C)C)COC(=O)N
InChI
InChI=1S/C16H20ClN3O2S/c1-4-20-13(9-22-16(18)21)19-14(10(2)3)15(20)23-12-7-5-6-11(17)8-12/h5-8,10H,4,9H2,1-3H3,(H2,18,21)
InChIKey
TUAZQPYBEJFIAZ-UHFFFAOYSA-N
Compound name
[5-(3-chlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

353.09647 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10375 181.7
[M+Na]+ 376.08569 190.5
[M-H]- 352.08919 186.2
[M+NH4]+ 371.13029 195.3
[M+K]+ 392.05963 184.8
[M+H-H2O]+ 336.09373 174.3
[M+HCOO]- 398.09467 192.8
[M+CH3COO]- 412.11032 213.7
[M+Na-2H]- 374.07114 177.5
[M]+ 353.09592 188.3
[M]- 353.09702 188.3
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