CID 106948

Einecs 267-611-4

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CCC(C)CCCC(C)(C)O
InChI
InChI=1S/C19H29NO3/c1-5-23-18(21)16-8-10-17(11-9-16)20-14-12-15(2)7-6-13-19(3,4)22/h8-11,14-15,22H,5-7,12-13H2,1-4H3
InChIKey
XVBLHUKRTCOMPF-UHFFFAOYSA-N
Compound name
ethyl 4-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.222026 181.1
[M+Na]+ 342.203968 184.7
[M-H]- 318.207474 183.6
[M+NH4]+ 337.248573 195.2
[M+K]+ 358.177908 182.3
[M+H-H2O]+ 302.212010 173.8
[M+HCOO]- 364.212951 200.8
[M+CH3COO]- 378.228601 212.5
[M+Na-2H]- 340.189416 182.0
[M]+ 319.21420142 185.3
[M]- 319.21529858 185.3
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