CID 56812

94785-93-0

Structural Information

Molecular Formula
C11H9N3
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C(N3)N
InChI
InChI=1S/C11H9N3/c12-11-13-9-6-5-7-3-1-2-4-8(7)10(9)14-11/h1-6H,(H3,12,13,14)
InChIKey
PZUJQFOCMARCSE-UHFFFAOYSA-N
Compound name
3H-benzo[e]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.07965 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08693 135.4
[M+Na]+ 206.06887 146.7
[M-H]- 182.07237 137.5
[M+NH4]+ 201.11347 155.8
[M+K]+ 222.04281 140.9
[M+H-H2O]+ 166.07691 128.6
[M+HCOO]- 228.07785 157.7
[M+CH3COO]- 242.09350 149.0
[M+Na-2H]- 204.05432 144.9
[M]+ 183.07910 134.4
[M]- 183.08020 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe