CID 53591

2-exo-piperidino-bornan-3-endo-ol p-aminobenzoate

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CC1(C2CCC1(C(C2OC(=O)C3=CC=C(C=C3)N)N4CCCCC4)C)C
InChI
InChI=1S/C22H32N2O2/c1-21(2)17-11-12-22(21,3)19(24-13-5-4-6-14-24)18(17)26-20(25)15-7-9-16(23)10-8-15/h7-10,17-19H,4-6,11-14,23H2,1-3H3
InChIKey
GNWAMXNYZREYAS-UHFFFAOYSA-N
Compound name
(4,7,7-trimethyl-3-piperidin-1-yl-2-bicyclo[2.2.1]heptanyl) 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.24637 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.253646 188.7
[M+Na]+ 379.235588 193.4
[M-H]- 355.239094 195.3
[M+NH4]+ 374.280193 208.6
[M+K]+ 395.209528 188.5
[M+H-H2O]+ 339.243630 181.4
[M+HCOO]- 401.244571 202.9
[M+CH3COO]- 415.260221 197.6
[M+Na-2H]- 377.221036 185.5
[M]+ 356.24582142 184.3
[M]- 356.24691858 184.3
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.