CID 473981

178979-63-0

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/c1-9(2)15-16(21(10(3)4)14(8-19)20-15)22-13-6-11(17)5-12(18)7-13/h5-7,9-10H,8,19H2,1-4H3
InChIKey
DMDQSBAZAQIINF-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1,4-di(propan-2-yl)imidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

357.0833 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09058 181.4
[M+Na]+ 380.07252 191.2
[M-H]- 356.07602 185.4
[M+NH4]+ 375.11712 195.8
[M+K]+ 396.04646 183.9
[M+H-H2O]+ 340.08056 174.9
[M+HCOO]- 402.08150 186.7
[M+CH3COO]- 416.09715 216.3
[M+Na-2H]- 378.05797 175.5
[M]+ 357.08275 187.2
[M]- 357.08385 187.2
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.