CID 364452

Anisoacrone

Structural Information

Molecular Formula
C23H18N2O5
SMILES
COC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O
InChI
InChI=1S/C23H18N2O5/c1-29-15-11-9-14(10-12-15)24-20(26)13-30-23(28)18-7-4-6-17-21(18)25-19-8-3-2-5-16(19)22(17)27/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKey
WIKNBSHSJZLCES-UHFFFAOYSA-N
Compound name
[2-(4-methoxyanilino)-2-oxoethyl] 9-oxo-10H-acridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.12158 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.128856 192.5
[M+Na]+ 425.110798 200.1
[M-H]- 401.114304 198.6
[M+NH4]+ 420.155403 202.3
[M+K]+ 441.084738 195.0
[M+H-H2O]+ 385.118840 181.9
[M+HCOO]- 447.119781 211.7
[M+CH3COO]- 461.135431 223.4
[M+Na-2H]- 423.096246 198.2
[M]+ 402.12103142 196.3
[M]- 402.12212858 196.3
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.