CID 5004876

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

Structural Information

Molecular Formula
C23H21NO4
SMILES
COC1=C(C=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O)OC
InChI
InChI=1S/C23H21NO4/c1-27-19-11-10-14(13-20(19)28-2)12-15-6-5-8-17-21(23(25)26)16-7-3-4-9-18(16)24-22(15)17/h3-4,7,9-13H,5-6,8H2,1-2H3,(H,25,26)
InChIKey
WHJKJQHHFCBZKD-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.14706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 189.7
[M+Na]+ 398.13628 196.5
[M-H]- 374.13978 194.9
[M+NH4]+ 393.18088 201.2
[M+K]+ 414.11022 190.9
[M+H-H2O]+ 358.14432 179.6
[M+HCOO]- 420.14526 204.4
[M+CH3COO]- 434.16091 198.5
[M+Na-2H]- 396.12173 192.0
[M]+ 375.14651 190.3
[M]- 375.14761 190.3
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.