CID 40741

53352-75-3

Structural Information

Molecular Formula
C19H32N2O3
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OCCN(CC)CC)OCC
InChI
InChI=1S/C19H32N2O3/c1-5-9-12-20-16-10-11-17(18(15-16)23-8-4)19(22)24-14-13-21(6-2)7-3/h10-11,15,20H,5-9,12-14H2,1-4H3
InChIKey
PJAVBVIWGYXOMZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-(butylamino)-2-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2413 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.24858 185.4
[M+Na]+ 359.23052 194.0
[M+NH4]+ 354.27512 191.0
[M+K]+ 375.20446 187.5
[M-H]- 335.23402 187.3
[M+Na-2H]- 357.21597 188.8
[M]+ 336.24075 186.8
[M]- 336.24185 186.8
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.