CID 473994

178979-76-5

Structural Information

Molecular Formula
C15H19Cl2N3S
SMILES
CC(C)C1=C(N(C(=N1)CNC)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H19Cl2N3S/c1-9(2)14-15(20(4)13(19-14)8-18-3)21-12-6-10(16)5-11(17)7-12/h5-7,9,18H,8H2,1-4H3
InChIKey
VNUTYLTZQZWNSC-UHFFFAOYSA-N
Compound name
1-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 177.5
[M+Na]+ 366.05692 188.1
[M-H]- 342.06042 182.0
[M+NH4]+ 361.10152 192.8
[M+K]+ 382.03086 180.9
[M+H-H2O]+ 326.06496 170.9
[M+HCOO]- 388.06590 184.7
[M+CH3COO]- 402.08155 213.1
[M+Na-2H]- 364.04237 174.0
[M]+ 343.06715 184.4
[M]- 343.06825 184.4
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.