CID 357883

N-(1h-benzimidazol-1-ylmethyl)aniline

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C(C=C1)NCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C14H13N3/c1-2-6-12(7-3-1)15-10-17-11-16-13-8-4-5-9-14(13)17/h1-9,11,15H,10H2
InChIKey
XEVXPIRXOWDVKA-UHFFFAOYSA-N
Compound name
N-(benzimidazol-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 146.9
[M+Na]+ 246.10017 156.1
[M-H]- 222.10367 152.3
[M+NH4]+ 241.14477 164.9
[M+K]+ 262.07411 150.9
[M+H-H2O]+ 206.10821 138.0
[M+HCOO]- 268.10915 171.8
[M+CH3COO]- 282.12480 160.0
[M+Na-2H]- 244.08562 156.3
[M]+ 223.11040 147.8
[M]- 223.11150 147.8
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.