CID 473970

178979-51-6

Structural Information

Molecular Formula
C17H21Cl2N3O3S
SMILES
CC(C)C1=C(N(C(=N1)COCCOC(=O)N)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C17H21Cl2N3O3S/c1-10(2)15-16(26-13-7-11(18)6-12(19)8-13)22(3)14(21-15)9-24-4-5-25-17(20)23/h6-8,10H,4-5,9H2,1-3H3,(H2,20,23)
InChIKey
CDONJXSARYPBSF-UHFFFAOYSA-N
Compound name
2-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methoxy]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

417.06805 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.07533 193.1
[M+Na]+ 440.05727 202.1
[M-H]- 416.06077 197.2
[M+NH4]+ 435.10187 204.8
[M+K]+ 456.03121 196.1
[M+H-H2O]+ 400.06531 186.4
[M+HCOO]- 462.06625 199.1
[M+CH3COO]- 476.08190 223.8
[M+Na-2H]- 438.04272 187.6
[M]+ 417.06750 202.8
[M]- 417.06860 202.8
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