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]+ 340.21184 181.8
[M+Na]+ 362.19378 191.2
[M+NH4]+ 357.23838 186.9
[M+K]+ 378.16772 186.0
[M-H]- 338.19728 182.5
[M+Na-2H]- 360.17923 184.7
[M]+ 339.20401 183.0
[M]- 339.20511 183.0
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