CID 204922

Benzoato di 3-(n'-metilpiperazino)metil-2-bornanolo dicloridrato [italian]

Structural Information

Molecular Formula
C23H34N2O2
SMILES
CC1(C2CCC1(C(C2CN3CCN(CC3)C)OC(=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C23H34N2O2/c1-22(2)19-10-11-23(22,3)20(27-21(26)17-8-6-5-7-9-17)18(19)16-25-14-12-24(4)13-15-25/h5-9,18-20H,10-16H2,1-4H3
InChIKey
VKSNZLQXDGAVIP-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-[(4-methylpiperazin-1-yl)methyl]-2-bicyclo[2.2.1]heptanyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.26202 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.269296 193.8
[M+Na]+ 393.251238 198.8
[M-H]- 369.254744 199.4
[M+NH4]+ 388.295843 212.3
[M+K]+ 409.225178 194.0
[M+H-H2O]+ 353.259280 185.3
[M+HCOO]- 415.260221 205.9
[M+CH3COO]- 429.275871 202.3
[M+Na-2H]- 391.236686 189.9
[M]+ 370.26147142 191.7
[M]- 370.26256858 191.7
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.