CID 204894

2-bornanol, 3-((4-methyl-1-piperazinyl)methyl)-, 3,4,5-trimethoxybenzoate (ester), 2hcl

Structural Information

Molecular Formula
C26H40N2O5
SMILES
CC1(C2CCC1(C(C2CN3CCN(CC3)C)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)C)C
InChI
InChI=1S/C26H40N2O5/c1-25(2)19-8-9-26(25,3)23(18(19)16-28-12-10-27(4)11-13-28)33-24(29)17-14-20(30-5)22(32-7)21(15-17)31-6/h14-15,18-19,23H,8-13,16H2,1-7H3
InChIKey
GQHWOELORCEWFU-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-[(4-methylpiperazin-1-yl)methyl]-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.29373 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.30101 212.6
[M+Na]+ 483.28295 220.6
[M+NH4]+ 478.32755 220.7
[M+K]+ 499.25689 215.3
[M-H]- 459.28645 214.1
[M+Na-2H]- 481.26840 214.7
[M]+ 460.29318 214.1
[M]- 460.29428 214.1
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.