CID 385779

Nsc677173

Structural Information

Molecular Formula
C21H15N3O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NNC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C21H15N3O4/c25-19-14-4-1-2-7-17(14)22-18-15(19)5-3-6-16(18)20(26)24-23-13-10-8-12(9-11-13)21(27)28/h1-11,23H,(H,22,25)(H,24,26)(H,27,28)
InChIKey
HQYPQBFOWXSEAB-UHFFFAOYSA-N
Compound name
4-[2-(9-oxo-10H-acridine-4-carbonyl)hydrazinyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10626 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11354 182.4
[M+Na]+ 396.09548 189.9
[M-H]- 372.09898 187.5
[M+NH4]+ 391.14008 192.5
[M+K]+ 412.06942 183.8
[M+H-H2O]+ 356.10352 172.8
[M+HCOO]- 418.10446 201.8
[M+CH3COO]- 432.12011 191.6
[M+Na-2H]- 394.08093 189.6
[M]+ 373.10571 182.1
[M]- 373.10681 182.1
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.