CID 20847873

4-[(3-nitrophenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Structural Information

Molecular Formula
C21H16N2O4
SMILES
C1C/C(=C/C2=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)/b14-11-
InChIKey
OBICDYRXQOLKBN-KAMYIIQDSA-N
Compound name
(4Z)-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]+ 361.118276 181.6
[M+Na]+ 383.100218 186.3
[M-H]- 359.103724 186.6
[M+NH4]+ 378.144823 192.3
[M+K]+ 399.074158 176.3
[M+H-H2O]+ 343.108260 176.1
[M+HCOO]- 405.109201 197.6
[M+CH3COO]- 419.124851 208.3
[M+Na-2H]- 381.085666 187.4
[M]+ 360.11045142 177.1
[M]- 360.11154858 177.1
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.