CID 470962

155669-74-2

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)C2=O)NC3=CC=CC=C3N)O
InChI
InChI=1S/C16H12N2O3/c17-11-7-3-4-8-12(11)18-13-14(19)9-5-1-2-6-10(9)15(20)16(13)21/h1-8,18-19H,17H2
InChIKey
LSHLYOQAXZBLOT-UHFFFAOYSA-N
Compound name
3-(2-aminoanilino)-4-hydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08478 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 160.7
[M+Na]+ 303.07400 169.5
[M-H]- 279.07750 167.4
[M+NH4]+ 298.11860 176.3
[M+K]+ 319.04794 164.4
[M+H-H2O]+ 263.08204 153.0
[M+HCOO]- 325.08298 183.5
[M+CH3COO]- 339.09863 204.1
[M+Na-2H]- 301.05945 165.8
[M]+ 280.08423 158.5
[M]- 280.08533 158.5
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.