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]+ 371.26930 193.8
[M+Na]+ 393.25124 198.8
[M-H]- 369.25474 199.4
[M+NH4]+ 388.29584 212.3
[M+K]+ 409.22518 194.0
[M+H-H2O]+ 353.25928 185.3
[M+HCOO]- 415.26022 205.9
[M+CH3COO]- 429.27587 202.3
[M+Na-2H]- 391.23669 189.9
[M]+ 370.26147 191.7
[M]- 370.26257 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.