CID 473991

178979-73-2

Structural Information

Molecular Formula
C15H19Cl2N3S
SMILES
CC(C)C1=C(N(C(=N1)CCN)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H19Cl2N3S/c1-9(2)14-15(20(3)13(19-14)4-5-18)21-12-7-10(16)6-11(17)8-12/h6-9H,4-5,18H2,1-3H3
InChIKey
RGBBGWWCUGIVNR-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

343.0677 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07498 177.8
[M+Na]+ 366.05692 188.4
[M-H]- 342.06042 181.8
[M+NH4]+ 361.10152 192.8
[M+K]+ 382.03086 180.8
[M+H-H2O]+ 326.06496 171.2
[M+HCOO]- 388.06590 184.4
[M+CH3COO]- 402.08155 212.5
[M+Na-2H]- 364.04237 173.3
[M]+ 343.06715 183.7
[M]- 343.06825 183.7
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.