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
1
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]+ 352.21184 185.0
[M+Na]+ 374.19378 189.5
[M-H]- 350.19728 189.4
[M+NH4]+ 369.23838 198.4
[M+K]+ 390.16772 187.8
[M+H-H2O]+ 334.20182 176.3
[M+HCOO]- 396.20276 204.4
[M+CH3COO]- 410.21841 213.1
[M+Na-2H]- 372.17923 183.0
[M]+ 351.20401 191.2
[M]- 351.20511 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

No patent data available for this compound.