CID 66859

Benzamide, 3-amino-n-(3-aminophenyl)-

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC(=CC(=C1)N)C(=O)NC2=CC=CC(=C2)N
InChI
InChI=1S/C13H13N3O/c14-10-4-1-3-9(7-10)13(17)16-12-6-2-5-11(15)8-12/h1-8H,14-15H2,(H,16,17)
InChIKey
OMIOAPDWNQGXED-UHFFFAOYSA-N
Compound name
3-amino-N-(3-aminophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

624
Patents

227.10587 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.113146 150.0
[M+Na]+ 250.095088 156.4
[M-H]- 226.098594 156.2
[M+NH4]+ 245.139693 166.5
[M+K]+ 266.069028 152.5
[M+H-H2O]+ 210.103130 142.2
[M+HCOO]- 272.104071 176.0
[M+CH3COO]- 286.119721 196.6
[M+Na-2H]- 248.080536 155.0
[M]+ 227.10532142 145.5
[M]- 227.10641858 145.5
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

patents stripe