CID 5004878

2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O
InChI
InChI=1S/C19H23NO2/c1-4-19(2,3)12-9-10-16-14(11-12)17(18(21)22)13-7-5-6-8-15(13)20-16/h5-8,12H,4,9-11H2,1-3H3,(H,21,22)
InChIKey
CSIGYJLDIGJVPF-UHFFFAOYSA-N
Compound name
2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 172.3
[M+Na]+ 320.16210 178.5
[M-H]- 296.16560 174.2
[M+NH4]+ 315.20670 187.7
[M+K]+ 336.13604 173.8
[M+H-H2O]+ 280.17014 164.9
[M+HCOO]- 342.17108 185.2
[M+CH3COO]- 356.18673 205.4
[M+Na-2H]- 318.14755 176.6
[M]+ 297.17233 171.1
[M]- 297.17343 171.1
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.