CID 39974

Tiamenidine

Structural Information

Molecular Formula
C8H10ClN3S
SMILES
CC1=CSC(=C1NC2=NCCN2)Cl
InChI
InChI=1S/C8H10ClN3S/c1-5-4-13-7(9)6(5)12-8-10-2-3-11-8/h4H,2-3H2,1H3,(H2,10,11,12)
InChIKey
CVWILQHZFWRYPB-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-methylthiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

2928
Patents

215.0284 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.035676 145.4
[M+Na]+ 238.017618 155.5
[M-H]- 214.021124 149.3
[M+NH4]+ 233.062223 165.9
[M+K]+ 253.991558 150.6
[M+H-H2O]+ 198.025660 139.3
[M+HCOO]- 260.026601 159.2
[M+CH3COO]- 274.042251 158.2
[M+Na-2H]- 236.003066 145.1
[M]+ 215.02785142 146.0
[M]- 215.02894858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe