CID 2871534

351516-94-4

Structural Information

Molecular Formula
C22H13NO5
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O
InChI
InChI=1S/C22H13NO5/c24-19-13-5-1-2-6-14(13)20(25)18-11-12(9-10-15(18)19)23-21(26)16-7-3-4-8-17(16)22(27)28/h1-11H,(H,23,26)(H,27,28)
InChIKey
JFVCBYNCBUNXMX-UHFFFAOYSA-N
Compound name
2-[(9,10-dioxoanthracen-2-yl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

371.07938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.08666 182.3
[M+Na]+ 394.06860 189.8
[M-H]- 370.07210 189.6
[M+NH4]+ 389.11320 194.7
[M+K]+ 410.04254 184.9
[M+H-H2O]+ 354.07664 173.3
[M+HCOO]- 416.07758 200.7
[M+CH3COO]- 430.09323 219.8
[M+Na-2H]- 392.05405 186.0
[M]+ 371.07883 182.5
[M]- 371.07993 182.5
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

patents stripe