CID 54182

Brn 3391194

Structural Information

Molecular Formula
C21H35NO3
SMILES
CCCCN(CCCC)CCCOCC1=CC=C(C=C1)C(=O)OCC
InChI
InChI=1S/C21H35NO3/c1-4-7-14-22(15-8-5-2)16-9-17-24-18-19-10-12-20(13-11-19)21(23)25-6-3/h10-13H,4-9,14-18H2,1-3H3
InChIKey
HOOWPNUGOVLMOE-UHFFFAOYSA-N
Compound name
ethyl 4-[3-(dibutylamino)propoxymethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2617 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.26898 190.2
[M+Na]+ 372.25092 199.3
[M+NH4]+ 367.29552 196.0
[M+K]+ 388.22486 191.8
[M-H]- 348.25442 191.8
[M+Na-2H]- 370.23637 193.7
[M]+ 349.26115 191.7
[M]- 349.26225 191.7
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.