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]+ 262.13725 160.2
[M+Na]+ 284.11919 169.4
[M-H]- 260.12269 162.6
[M+NH4]+ 279.16379 178.0
[M+K]+ 300.09313 164.1
[M+H-H2O]+ 244.12723 153.0
[M+HCOO]- 306.12817 176.8
[M+CH3COO]- 320.14382 199.7
[M+Na-2H]- 282.10464 161.1
[M]+ 261.12942 163.8
[M]- 261.13052 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.