CID 155971416

4507-71-5

Structural Information

Molecular Formula
C13H13N3
SMILES
C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CCN
InChI
InChI=1S/C13H13N3/c14-6-5-13-15-11-7-9-3-1-2-4-10(9)8-12(11)16-13/h1-4,7-8H,5-6,14H2,(H,15,16)
InChIKey
DDTJXJNVCFOYAR-UHFFFAOYSA-N
Compound name
2-(1H-benzo[f]benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.11095 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.118226 144.7
[M+Na]+ 234.100168 155.0
[M-H]- 210.103674 146.4
[M+NH4]+ 229.144773 163.9
[M+K]+ 250.074108 148.8
[M+H-H2O]+ 194.108210 137.3
[M+HCOO]- 256.109151 166.3
[M+CH3COO]- 270.124801 157.3
[M+Na-2H]- 232.085616 153.0
[M]+ 211.11040142 144.2
[M]- 211.11149858 144.2
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.