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
1
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]+ 332.22203 185.1
[M+Na]+ 354.20397 188.4
[M-H]- 330.20747 188.6
[M+NH4]+ 349.24857 199.2
[M+K]+ 370.17791 186.0
[M+H-H2O]+ 314.21201 176.9
[M+HCOO]- 376.21295 206.8
[M+CH3COO]- 390.22860 217.0
[M+Na-2H]- 352.18942 183.8
[M]+ 331.21420 190.6
[M]- 331.21530 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.