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
1
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]+ 320.22203 181.1
[M+Na]+ 342.20397 184.7
[M-H]- 318.20747 183.6
[M+NH4]+ 337.24857 195.2
[M+K]+ 358.17791 182.3
[M+H-H2O]+ 302.21201 173.8
[M+HCOO]- 364.21295 200.8
[M+CH3COO]- 378.22860 212.5
[M+Na-2H]- 340.18942 182.0
[M]+ 319.21420 185.3
[M]- 319.21530 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