CID 3000412

1-bzmenhpr-bzimidaz-2-thione

Structural Information

Molecular Formula
C18H21N3S
SMILES
CC(CN1C2=CC=CC=C2NC1=S)N(C)CC3=CC=CC=C3
InChI
InChI=1S/C18H21N3S/c1-14(20(2)13-15-8-4-3-5-9-15)12-21-17-11-7-6-10-16(17)19-18(21)22/h3-11,14H,12-13H2,1-2H3,(H,19,22)
InChIKey
PKANDULRETWKCW-UHFFFAOYSA-N
Compound name
3-[2-[benzyl(methyl)amino]propyl]-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14563 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15291 172.6
[M+Na]+ 334.13485 181.2
[M-H]- 310.13835 178.1
[M+NH4]+ 329.17945 188.0
[M+K]+ 350.10879 174.9
[M+H-H2O]+ 294.14289 164.3
[M+HCOO]- 356.14383 189.3
[M+CH3COO]- 370.15948 183.6
[M+Na-2H]- 332.12030 174.1
[M]+ 311.14508 175.9
[M]- 311.14618 175.9
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.