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]+ 371.26930 193.0
[M+Na]+ 393.25124 197.2
[M-H]- 369.25474 199.4
[M+NH4]+ 388.29584 212.3
[M+K]+ 409.22518 192.2
[M+H-H2O]+ 353.25928 185.5
[M+HCOO]- 415.26022 206.8
[M+CH3COO]- 429.27587 201.5
[M+Na-2H]- 391.23669 189.3
[M]+ 370.26147 188.9
[M]- 370.26257 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.