CID 3000413

Chembl149464

Structural Information

Molecular Formula
C14H19N3S
SMILES
CC(CN1C2=CC=CC=C2NC1=S)N(C)CC=C
InChI
InChI=1S/C14H19N3S/c1-4-9-16(3)11(2)10-17-13-8-6-5-7-12(13)15-14(17)18/h4-8,11H,1,9-10H2,2-3H3,(H,15,18)
InChIKey
BGNJGAHPCJELIQ-UHFFFAOYSA-N
Compound name
3-[2-[methyl(prop-2-enyl)amino]propyl]-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.12997 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.137246 160.2
[M+Na]+ 284.119188 169.4
[M-H]- 260.122694 162.6
[M+NH4]+ 279.163793 178.0
[M+K]+ 300.093128 164.1
[M+H-H2O]+ 244.127230 153.0
[M+HCOO]- 306.128171 176.8
[M+CH3COO]- 320.143821 199.7
[M+Na-2H]- 282.104636 161.1
[M]+ 261.12942142 163.8
[M]- 261.13051858 163.8
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.