CID 3000411

Chembl358039

Structural Information

Molecular Formula
C15H21N3S
SMILES
CC(CN1C2=CC=CC=C2NC1=S)NCC=C(C)C
InChI
InChI=1S/C15H21N3S/c1-11(2)8-9-16-12(3)10-18-14-7-5-4-6-13(14)17-15(18)19/h4-8,12,16H,9-10H2,1-3H3,(H,17,19)
InChIKey
ZWEYTKILZXURNB-UHFFFAOYSA-N
Compound name
3-[2-(3-methylbut-2-enylamino)propyl]-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.14563 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15291 164.8
[M+Na]+ 298.13485 173.2
[M-H]- 274.13835 165.8
[M+NH4]+ 293.17945 181.5
[M+K]+ 314.10879 166.9
[M+H-H2O]+ 258.14289 157.9
[M+HCOO]- 320.14383 179.6
[M+CH3COO]- 334.15948 199.5
[M+Na-2H]- 296.12030 164.9
[M]+ 275.14508 166.9
[M]- 275.14618 166.9
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.