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]+ 298.180156 172.3
[M+Na]+ 320.162098 178.5
[M-H]- 296.165604 174.2
[M+NH4]+ 315.206703 187.7
[M+K]+ 336.136038 173.8
[M+H-H2O]+ 280.170140 164.9
[M+HCOO]- 342.171081 185.2
[M+CH3COO]- 356.186731 205.4
[M+Na-2H]- 318.147546 176.6
[M]+ 297.17233142 171.1
[M]- 297.17342858 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.