CID 2757337

2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O
InChI
InChI=1S/C18H21NO2/c1-18(2,3)11-8-9-15-13(10-11)16(17(20)21)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H,20,21)
InChIKey
OLFUQJZKMJBHMQ-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.8
[M+Na]+ 306.14645 174.7
[M-H]- 282.14995 170.1
[M+NH4]+ 301.19105 183.9
[M+K]+ 322.12039 170.1
[M+H-H2O]+ 266.15449 160.7
[M+HCOO]- 328.15543 181.1
[M+CH3COO]- 342.17108 201.7
[M+Na-2H]- 304.13190 172.7
[M]+ 283.15668 166.3
[M]- 283.15778 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.