CID 268015

135330-11-9

Structural Information

Molecular Formula
C17H13NO3
SMILES
CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)C2=O)O
InChI
InChI=1S/C17H13NO3/c1-10-6-8-11(9-7-10)18-14-15(19)12-4-2-3-5-13(12)16(20)17(14)21/h2-9,18-19H,1H3
InChIKey
LOGBYHDPBDTSMK-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(4-methylanilino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 161.0
[M+Na]+ 302.07876 170.3
[M-H]- 278.08226 168.1
[M+NH4]+ 297.12336 177.3
[M+K]+ 318.05270 165.2
[M+H-H2O]+ 262.08680 153.4
[M+HCOO]- 324.08774 183.1
[M+CH3COO]- 338.10339 202.3
[M+Na-2H]- 300.06421 166.2
[M]+ 279.08899 160.8
[M]- 279.09009 160.8
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.