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]+ 198.10257 140.1
[M+Na]+ 220.08451 150.8
[M-H]- 196.08801 142.0
[M+NH4]+ 215.12911 159.9
[M+K]+ 236.05845 144.9
[M+H-H2O]+ 180.09255 133.0
[M+HCOO]- 242.09349 162.0
[M+CH3COO]- 256.10914 153.2
[M+Na-2H]- 218.06996 149.0
[M]+ 197.09474 139.3
[M]- 197.09584 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.