CID 6698

Usaf pd-70

Structural Information

Molecular Formula
C21H14N2O4
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4N
InChI
InChI=1S/C21H14N2O4/c22-14-8-3-6-12-17(14)20(25)18-13(19(12)24)7-4-10-16(18)23-15-9-2-1-5-11(15)21(26)27/h1-10,23H,22H2,(H,26,27)
InChIKey
RWWUAULELNVOFR-UHFFFAOYSA-N
Compound name
2-[(8-amino-9,10-dioxoanthracen-1-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.09537 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10265 182.3
[M+Na]+ 381.08459 196.4
[M+NH4]+ 376.12919 189.4
[M+K]+ 397.05853 189.2
[M-H]- 357.08809 187.6
[M+Na-2H]- 379.07004 188.6
[M]+ 358.09482 185.7
[M]- 358.09592 185.7
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.