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]+ 224.11823 148.0
[M+Na]+ 246.10017 156.5
[M-H]- 222.10367 151.7
[M+NH4]+ 241.14477 165.0
[M+K]+ 262.07411 150.6
[M+H-H2O]+ 206.10821 139.7
[M+HCOO]- 268.10915 169.8
[M+CH3COO]- 282.12480 160.1
[M+Na-2H]- 244.08562 154.8
[M]+ 223.11040 145.5
[M]- 223.11150 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.