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]+ 403.12886 192.5
[M+Na]+ 425.11080 200.1
[M-H]- 401.11430 198.6
[M+NH4]+ 420.15540 202.3
[M+K]+ 441.08474 195.0
[M+H-H2O]+ 385.11884 181.9
[M+HCOO]- 447.11978 211.7
[M+CH3COO]- 461.13543 223.4
[M+Na-2H]- 423.09625 198.2
[M]+ 402.12103 196.3
[M]- 402.12213 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.