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 192.3
[M+Na]+ 393.25124 200.1
[M+NH4]+ 388.29584 202.9
[M+K]+ 409.22518 193.3
[M-H]- 369.25474 196.0
[M+Na-2H]- 391.23669 196.7
[M]+ 370.26147 194.4
[M]- 370.26257 194.4
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.