CID 189887

Burodiline

Structural Information

Molecular Formula
C19H29NO5
SMILES
CCCCOC1=C(C=C(C=C1OC)C(=O)OCCN2CCCC2)OC
InChI
InChI=1S/C19H29NO5/c1-4-5-11-24-18-16(22-2)13-15(14-17(18)23-3)19(21)25-12-10-20-8-6-7-9-20/h13-14H,4-12H2,1-3H3
InChIKey
IDMYDMZQNZFFBK-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 4-butoxy-3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

351.20456 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.211836 185.0
[M+Na]+ 374.193778 189.5
[M-H]- 350.197284 189.4
[M+NH4]+ 369.238383 198.4
[M+K]+ 390.167718 187.8
[M+H-H2O]+ 334.201820 176.3
[M+HCOO]- 396.202761 204.4
[M+CH3COO]- 410.218411 213.1
[M+Na-2H]- 372.179226 183.0
[M]+ 351.20401142 191.2
[M]- 351.20510858 191.2
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

patents stripe