CID 155859014

4507-70-4

Structural Information

Molecular Formula
C13H13N3
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C(N3)CCN
InChI
InChI=1S/C13H13N3/c14-8-7-12-15-11-6-5-9-3-1-2-4-10(9)13(11)16-12/h1-6H,7-8,14H2,(H,15,16)
InChIKey
YQWNQKSOVHTNGG-UHFFFAOYSA-N
Compound name
2-(3H-benzo[e]benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

211.11095 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11823 145.3
[M+Na]+ 234.10017 159.6
[M+NH4]+ 229.14477 154.6
[M+K]+ 250.07411 153.4
[M-H]- 210.10367 148.2
[M+Na-2H]- 232.08562 152.3
[M]+ 211.11040 148.2
[M]- 211.11150 148.2
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.