CID 3000409

1-bznhpr-bzimidaz-2-thione

Structural Information

Molecular Formula
C17H19N3S
SMILES
CC(CN1C2=CC=CC=C2NC1=S)NCC3=CC=CC=C3
InChI
InChI=1S/C17H19N3S/c1-13(18-11-14-7-3-2-4-8-14)12-20-16-10-6-5-9-15(16)19-17(20)21/h2-10,13,18H,11-12H2,1H3,(H,19,21)
InChIKey
URLWNNJWWGBBNN-UHFFFAOYSA-N
Compound name
3-[2-(benzylamino)propyl]-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.12997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13725 167.3
[M+Na]+ 320.11919 176.4
[M-H]- 296.12269 171.6
[M+NH4]+ 315.16379 182.7
[M+K]+ 336.09313 168.9
[M+H-H2O]+ 280.12723 159.4
[M+HCOO]- 342.12817 184.0
[M+CH3COO]- 356.14382 178.3
[M+Na-2H]- 318.10464 170.1
[M]+ 297.12942 169.0
[M]- 297.13052 169.0
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.