CID 42725

Dinaline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

28
References

6695
Patents

227.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 150.0
[M+Na]+ 250.09509 156.4
[M-H]- 226.09859 156.2
[M+NH4]+ 245.13969 166.5
[M+K]+ 266.06903 152.5
[M+H-H2O]+ 210.10313 142.2
[M+HCOO]- 272.10407 176.0
[M+CH3COO]- 286.11972 196.6
[M+Na-2H]- 248.08054 155.0
[M]+ 227.10532 145.5
[M]- 227.10642 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

No patent data available for this compound.