CID 474086

Schembl6966228

Structural Information

Molecular Formula
C18H23Cl2N3O2S
SMILES
CCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)CCCOC(=O)N
InChI
InChI=1S/C18H23Cl2N3O2S/c1-4-23-15(6-5-7-25-18(21)24)22-16(11(2)3)17(23)26-14-9-12(19)8-13(20)10-14/h8-11H,4-7H2,1-3H3,(H2,21,24)
InChIKey
LWCMTUVKJZEIGU-UHFFFAOYSA-N
Compound name
3-[5-(3,5-dichlorophenyl)sulfanyl-1-ethyl-4-propan-2-ylimidazol-2-yl]propyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

415.0888 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.09608 195.2
[M+Na]+ 438.07802 204.0
[M-H]- 414.08152 199.0
[M+NH4]+ 433.12262 207.1
[M+K]+ 454.05196 197.0
[M+H-H2O]+ 398.08606 188.3
[M+HCOO]- 460.08700 200.6
[M+CH3COO]- 474.10265 224.6
[M+Na-2H]- 436.06347 188.9
[M]+ 415.08825 203.8
[M]- 415.08935 203.8
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