CID 204860

Brn 1329566

Structural Information

Molecular Formula
C23H34N2O2
SMILES
CC1(C2CCC1(C(C2CN3CCCCC3)OC(=O)C4=CC=C(C=C4)N)C)C
InChI
InChI=1S/C23H34N2O2/c1-22(2)19-11-12-23(22,3)20(18(19)15-25-13-5-4-6-14-25)27-21(26)16-7-9-17(24)10-8-16/h7-10,18-20H,4-6,11-15,24H2,1-3H3
InChIKey
LSYZGINEUBIBKV-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.26202 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.269296 193.0
[M+Na]+ 393.251238 197.2
[M-H]- 369.254744 199.4
[M+NH4]+ 388.295843 212.3
[M+K]+ 409.225178 192.2
[M+H-H2O]+ 353.259280 185.5
[M+HCOO]- 415.260221 206.8
[M+CH3COO]- 429.275871 201.5
[M+Na-2H]- 391.236686 189.3
[M]+ 370.26147142 188.9
[M]- 370.26256858 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

literature stripe

Patent stripe

No patent data available for this compound.