CID 92952996

647036-24-6

Structural Information

Molecular Formula
C24H23NO5
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\2/CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O
InChI
InChI=1S/C24H23NO5/c1-28-19-12-14(13-20(29-2)23(19)30-3)11-15-7-6-9-17-21(24(26)27)16-8-4-5-10-18(16)25-22(15)17/h4-5,8,10-13H,6-7,9H2,1-3H3,(H,26,27)/b15-11-
InChIKey
QCQQUVYMWQPHRO-PTNGSMBKSA-N
Compound name
(4Z)-4-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.15762 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16490 197.3
[M+Na]+ 428.14684 204.2
[M-H]- 404.15034 202.6
[M+NH4]+ 423.19144 207.7
[M+K]+ 444.12078 199.4
[M+H-H2O]+ 388.15488 186.9
[M+HCOO]- 450.15582 211.6
[M+CH3COO]- 464.17147 225.0
[M+Na-2H]- 426.13229 198.5
[M]+ 405.15707 200.0
[M]- 405.15817 200.0
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.