CID 473990

178979-72-1

Structural Information

Molecular Formula
C16H19Cl2N3O2S
SMILES
CC(C)C1=C(N(C(=N1)CCOC(=O)N)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H19Cl2N3O2S/c1-9(2)14-15(24-12-7-10(17)6-11(18)8-12)21(3)13(20-14)4-5-23-16(19)22/h6-9H,4-5H2,1-3H3,(H2,19,22)
InChIKey
IKIHPYHUWRBUQO-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

387.0575 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06478 186.6
[M+Na]+ 410.04672 196.3
[M-H]- 386.05022 190.8
[M+NH4]+ 405.09132 199.6
[M+K]+ 426.02066 189.8
[M+H-H2O]+ 370.05476 180.1
[M+HCOO]- 432.05570 192.7
[M+CH3COO]- 446.07135 218.9
[M+Na-2H]- 408.03217 181.2
[M]+ 387.05695 194.5
[M]- 387.05805 194.5
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