CID 16227665

1354951-93-1

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C(C=C1)C(C2=CC3=C(C=C2)N=CN3)N
InChI
InChI=1S/C14H13N3/c15-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-16-12/h1-9,14H,15H2,(H,16,17)
InChIKey
CSGGYTQFKDJKFI-UHFFFAOYSA-N
Compound name
3H-benzimidazol-5-yl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 148.0
[M+Na]+ 246.100168 156.5
[M-H]- 222.103674 151.7
[M+NH4]+ 241.144773 165.0
[M+K]+ 262.074108 150.6
[M+H-H2O]+ 206.108210 139.7
[M+HCOO]- 268.109151 169.8
[M+CH3COO]- 282.124801 160.1
[M+Na-2H]- 244.085616 154.8
[M]+ 223.11040142 145.5
[M]- 223.11149858 145.5
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.