CID 204896

2-bornanol, 3-(((2-(diethylamino)ethyl)methylamino)methyl)-, 3,4,5-trimethoxybenzoate, 2hcl

Structural Information

Molecular Formula
C28H46N2O5
SMILES
CCN(CC)CCN(C)CC1C2CCC(C1OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)(C2(C)C)C
InChI
InChI=1S/C28H46N2O5/c1-10-30(11-2)15-14-29(6)18-20-21-12-13-28(5,27(21,3)4)25(20)35-26(31)19-16-22(32-7)24(34-9)23(17-19)33-8/h16-17,20-21,25H,10-15,18H2,1-9H3
InChIKey
YVPPUTYJXIWNOZ-UHFFFAOYSA-N
Compound name
[3-[[2-(diethylamino)ethyl-methylamino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.34067 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.34795 220.2
[M+Na]+ 513.32989 224.0
[M-H]- 489.33339 228.0
[M+NH4]+ 508.37449 237.9
[M+K]+ 529.30383 223.6
[M+H-H2O]+ 473.33793 214.9
[M+HCOO]- 535.33887 239.2
[M+CH3COO]- 549.35452 255.2
[M+Na-2H]- 511.31534 216.0
[M]+ 490.34012 231.8
[M]- 490.34122 231.8
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.