CID 3022971

93940-30-8

Structural Information

Molecular Formula
C20H29NO3
SMILES
CC(CCC=C(C)C)CCOCC=NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C20H29NO3/c1-16(2)8-7-9-17(3)12-14-24-15-13-21-19-11-6-5-10-18(19)20(22)23-4/h5-6,8,10-11,13,17H,7,9,12,14-15H2,1-4H3
InChIKey
SXANTGZGHBDWBX-UHFFFAOYSA-N
Compound name
methyl 2-[2-(3,7-dimethyloct-6-enoxy)ethylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 185.1
[M+Na]+ 354.203968 188.4
[M-H]- 330.207474 188.6
[M+NH4]+ 349.248573 199.2
[M+K]+ 370.177908 186.0
[M+H-H2O]+ 314.212010 176.9
[M+HCOO]- 376.212951 206.8
[M+CH3COO]- 390.228601 217.0
[M+Na-2H]- 352.189416 183.8
[M]+ 331.21420142 190.6
[M]- 331.21529858 190.6
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.