CID 364455

Carbacrone

Structural Information

Molecular Formula
C23H16N2O6
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C23H16N2O6/c26-19(24-14-10-8-13(9-11-14)22(28)29)12-31-23(30)17-6-3-5-16-20(17)25-18-7-2-1-4-15(18)21(16)27/h1-11H,12H2,(H,24,26)(H,25,27)(H,28,29)
InChIKey
NKZNDEYRBDVABF-UHFFFAOYSA-N
Compound name
4-[[2-(9-oxo-10H-acridine-4-carbonyl)oxyacetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.10083 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10811 193.1
[M+Na]+ 439.09005 199.9
[M-H]- 415.09355 197.9
[M+NH4]+ 434.13465 201.3
[M+K]+ 455.06399 195.1
[M+H-H2O]+ 399.09809 183.0
[M+HCOO]- 461.09903 210.2
[M+CH3COO]- 475.11468 224.1
[M+Na-2H]- 437.07550 197.7
[M]+ 416.10028 195.4
[M]- 416.10138 195.4
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.