CID 5004885

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

Structural Information

Molecular Formula
C22H19NO3
SMILES
COC1=CC=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O
InChI
InChI=1S/C22H19NO3/c1-26-16-11-9-14(10-12-16)13-15-5-4-7-18-20(22(24)25)17-6-2-3-8-19(17)23-21(15)18/h2-3,6,8-13H,4-5,7H2,1H3,(H,24,25)
InChIKey
AMSBESPIMWAFGZ-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1365 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14378 181.9
[M+Na]+ 368.12572 188.6
[M-H]- 344.12922 187.0
[M+NH4]+ 363.17032 194.5
[M+K]+ 384.09966 182.2
[M+H-H2O]+ 328.13376 172.0
[M+HCOO]- 390.13470 196.8
[M+CH3COO]- 404.15035 191.0
[M+Na-2H]- 366.11117 185.3
[M]+ 345.13595 180.3
[M]- 345.13705 180.3
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.