CID 473987

178979-69-6

Structural Information

Molecular Formula
C16H21Cl2N3S
SMILES
CC(C)C1=C(N(C(=N1)CN(C)C)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H21Cl2N3S/c1-10(2)15-16(21(5)14(19-15)9-20(3)4)22-13-7-11(17)6-12(18)8-13/h6-8,10H,9H2,1-5H3
InChIKey
ONOUYBSREXQUHY-UHFFFAOYSA-N
Compound name
1-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

357.0833 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09058 181.3
[M+Na]+ 380.07252 191.6
[M-H]- 356.07602 187.2
[M+NH4]+ 375.11712 196.6
[M+K]+ 396.04646 185.5
[M+H-H2O]+ 340.08056 174.3
[M+HCOO]- 402.08150 188.7
[M+CH3COO]- 416.09715 219.3
[M+Na-2H]- 378.05797 176.7
[M]+ 357.08275 189.9
[M]- 357.08385 189.9
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.