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]+ 401.24348 199.2
[M+Na]+ 423.22542 201.7
[M-H]- 399.22892 205.8
[M+NH4]+ 418.27002 216.3
[M+K]+ 439.19936 193.8
[M+H-H2O]+ 383.23346 196.3
[M+HCOO]- 445.23440 213.3
[M+CH3COO]- 459.25005 216.8
[M+Na-2H]- 421.21087 198.5
[M]+ 400.23565 195.2
[M]- 400.23675 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.