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
1
Annotation Hits

28
References

7131
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

literature stripe

Patent stripe

patents stripe