CID 45051087

853317-75-6

Structural Information

Molecular Formula
C24H25NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C3CCCCC3=NC4=CC=CC=C42
InChI
InChI=1S/C24H25NO2/c1-24(2,3)16-12-14-17(15-13-16)27-23(26)22-18-8-4-6-10-20(18)25-21-11-7-5-9-19(21)22/h4,6,8,10,12-15H,5,7,9,11H2,1-3H3
InChIKey
UACWREFABLXUNK-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl) 1,2,3,4-tetrahydroacridine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.18854 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19582 189.7
[M+Na]+ 382.17776 195.4
[M-H]- 358.18126 195.7
[M+NH4]+ 377.22236 202.6
[M+K]+ 398.15170 189.8
[M+H-H2O]+ 342.18580 179.7
[M+HCOO]- 404.18674 203.5
[M+CH3COO]- 418.20239 198.6
[M+Na-2H]- 380.16321 193.9
[M]+ 359.18799 188.9
[M]- 359.18909 188.9
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.