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

8
Patents

211.11095 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11823 144.7
[M+Na]+ 234.10017 155.0
[M-H]- 210.10367 146.4
[M+NH4]+ 229.14477 163.9
[M+K]+ 250.07411 148.8
[M+H-H2O]+ 194.10821 137.3
[M+HCOO]- 256.10915 166.3
[M+CH3COO]- 270.12480 157.3
[M+Na-2H]- 232.08562 153.0
[M]+ 211.11040 144.2
[M]- 211.11150 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.