CID 474084

178980-43-3

Structural Information

Molecular Formula
C17H21Cl2N3O2S
SMILES
CC(C)C1=C(N(C(=N1)CCCOC(=O)N)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C17H21Cl2N3O2S/c1-10(2)15-16(25-13-8-11(18)7-12(19)9-13)22(3)14(21-15)5-4-6-24-17(20)23/h7-10H,4-6H2,1-3H3,(H2,20,23)
InChIKey
DQTHCWYPEUCQHP-UHFFFAOYSA-N
Compound name
3-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]propyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

401.07315 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.08043 190.9
[M+Na]+ 424.06237 200.2
[M-H]- 400.06587 194.9
[M+NH4]+ 419.10697 203.3
[M+K]+ 440.03631 193.4
[M+H-H2O]+ 384.07041 184.2
[M+HCOO]- 446.07135 196.6
[M+CH3COO]- 460.08700 221.8
[M+Na-2H]- 422.04782 185.0
[M]+ 401.07260 199.1
[M]- 401.07370 199.1
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

No patent data available for this compound.