CID 204898

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

Structural Information

Molecular Formula
C29H48N2O5
SMILES
CCN(CC)CCN(CC)CC1C2CCC(C1OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)(C2(C)C)C
InChI
InChI=1S/C29H48N2O5/c1-10-30(11-2)15-16-31(12-3)19-21-22-13-14-29(6,28(22,4)5)26(21)36-27(32)20-17-23(33-7)25(35-9)24(18-20)34-8/h17-18,21-22,26H,10-16,19H2,1-9H3
InChIKey
RVOUQRAGOOLXTG-UHFFFAOYSA-N
Compound name
[3-[[2-(diethylamino)ethyl-ethylamino]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

504.35632 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.36360 224.6
[M+Na]+ 527.34554 227.9
[M-H]- 503.34904 232.1
[M+NH4]+ 522.39014 241.7
[M+K]+ 543.31948 227.4
[M+H-H2O]+ 487.35358 219.2
[M+HCOO]- 549.35452 243.3
[M+CH3COO]- 563.37017 258.0
[M+Na-2H]- 525.33099 219.9
[M]+ 504.35577 236.6
[M]- 504.35687 236.6
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.