CID 5008257

379255-82-0

Structural Information

Molecular Formula
C21H16N2O4
SMILES
C1CC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
InChI
InChI=1S/C21H16N2O4/c24-21(25)19-16-8-1-2-10-18(16)22-20-14(6-4-9-17(19)20)11-13-5-3-7-15(12-13)23(26)27/h1-3,5,7-8,10-12H,4,6,9H2,(H,24,25)
InChIKey
OBICDYRXQOLKBN-UHFFFAOYSA-N
Compound name
4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.111 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11828 181.2
[M+Na]+ 383.10022 196.5
[M+NH4]+ 378.14482 188.9
[M+K]+ 399.07416 191.1
[M-H]- 359.10372 186.7
[M+Na-2H]- 381.08567 187.6
[M]+ 360.11045 184.8
[M]- 360.11155 184.8
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.