CID 2771998

106473-45-4

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)N
InChI
InChI=1S/C14H13N3/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h1-9,13H,15H2,(H,16,17)
InChIKey
XNHQMCNLONGDFY-UHFFFAOYSA-N
Compound name
1H-benzimidazol-2-yl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 149.1
[M+Na]+ 246.10017 163.4
[M+NH4]+ 241.14477 158.0
[M+K]+ 262.07411 157.7
[M-H]- 222.10367 153.3
[M+Na-2H]- 244.08562 158.4
[M]+ 223.11040 152.3
[M]- 223.11150 152.3
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.