CID 36057

Brn 2671634

Structural Information

Molecular Formula
C18H29NO5
SMILES
CCN(CC)CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C18H29NO5/c1-6-19(7-2)10-8-9-11-24-18(20)14-12-15(21-3)17(23-5)16(13-14)22-4/h12-13H,6-11H2,1-5H3
InChIKey
YMFPHXRHDDQKNI-UHFFFAOYSA-N
Compound name
4-(diethylamino)butyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.20456 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.211836 182.2
[M+Na]+ 362.193778 187.5
[M-H]- 338.197284 186.6
[M+NH4]+ 357.238383 196.6
[M+K]+ 378.167718 187.6
[M+H-H2O]+ 322.201820 174.1
[M+HCOO]- 384.202761 205.5
[M+CH3COO]- 398.218411 219.7
[M+Na-2H]- 360.179226 182.1
[M]+ 339.20401142 192.9
[M]- 339.20510858 192.9
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