CID 3022970

93940-29-5

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCCC(CC)COCC=NC1=CC=CC=C1C(=O)OCC
InChI
InChI=1S/C19H29NO3/c1-4-7-10-16(5-2)15-22-14-13-20-18-12-9-8-11-17(18)19(21)23-6-3/h8-9,11-13,16H,4-7,10,14-15H2,1-3H3
InChIKey
CEAWCPLOWUCLGI-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(2-ethylhexoxy)ethylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 181.6
[M+Na]+ 342.203968 185.2
[M-H]- 318.207474 185.1
[M+NH4]+ 337.248573 196.3
[M+K]+ 358.177908 183.1
[M+H-H2O]+ 302.212010 173.3
[M+HCOO]- 364.212951 204.4
[M+CH3COO]- 378.228601 214.7
[M+Na-2H]- 340.189416 181.9
[M]+ 319.21420142 188.1
[M]- 319.21529858 188.1
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.