CID 4192549

1158278-01-3

Structural Information

Molecular Formula
C12H11N3
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C(N3)CN
InChI
InChI=1S/C12H11N3/c13-7-11-14-10-6-5-8-3-1-2-4-9(8)12(10)15-11/h1-6H,7,13H2,(H,14,15)
InChIKey
OLXCQAPSFQXYCE-UHFFFAOYSA-N
Compound name
3H-benzo[e]benzimidazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.09529 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.102566 140.1
[M+Na]+ 220.084508 150.8
[M-H]- 196.088014 142.0
[M+NH4]+ 215.129113 159.9
[M+K]+ 236.058448 144.9
[M+H-H2O]+ 180.092550 133.0
[M+HCOO]- 242.093491 162.0
[M+CH3COO]- 256.109141 153.2
[M+Na-2H]- 218.069956 149.0
[M]+ 197.09474142 139.3
[M]- 197.09583858 139.3
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.