CID 204858

Brn 1332811

Structural Information

Molecular Formula
C23H32N2O4
SMILES
CC1(C2CCC1(C(C2CN3CCCCC3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C)C
InChI
InChI=1S/C23H32N2O4/c1-22(2)19-11-12-23(22,3)20(18(19)15-24-13-5-4-6-14-24)29-21(26)16-7-9-17(10-8-16)25(27)28/h7-10,18-20H,4-6,11-15H2,1-3H3
InChIKey
XWEWJWSDRBWCIX-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2362 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.243476 199.2
[M+Na]+ 423.225418 201.7
[M-H]- 399.228924 205.8
[M+NH4]+ 418.270023 216.3
[M+K]+ 439.199358 193.8
[M+H-H2O]+ 383.233460 196.3
[M+HCOO]- 445.234401 213.3
[M+CH3COO]- 459.250051 216.8
[M+Na-2H]- 421.210866 198.5
[M]+ 400.23565142 195.2
[M]- 400.23674858 195.2
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.