CID 364450

Aniloacrone

Structural Information

Molecular Formula
C22H16N2O4
SMILES
C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O
InChI
InChI=1S/C22H16N2O4/c25-19(23-14-7-2-1-3-8-14)13-28-22(27)17-11-6-10-16-20(17)24-18-12-5-4-9-15(18)21(16)26/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKey
ACOXIXFJZBWHRO-UHFFFAOYSA-N
Compound name
(2-anilino-2-oxoethyl) 9-oxo-10H-acridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.111 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11828 184.7
[M+Na]+ 395.10022 192.2
[M-H]- 371.10372 190.6
[M+NH4]+ 390.14482 195.6
[M+K]+ 411.07416 186.3
[M+H-H2O]+ 355.10826 174.5
[M+HCOO]- 417.10920 204.2
[M+CH3COO]- 431.12485 194.2
[M+Na-2H]- 393.08567 191.6
[M]+ 372.11045 186.4
[M]- 372.11155 186.4
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.