CID 6437138

Einecs 267-168-7

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC(=CCC/C(=C/C=NC1=CC=CC=C1C(=O)OC)/C)C
InChI
InChI=1S/C18H23NO2/c1-14(2)8-7-9-15(3)12-13-19-17-11-6-5-10-16(17)18(20)21-4/h5-6,8,10-13H,7,9H2,1-4H3/b15-12+,19-13?
InChIKey
JWXAUDGXBFALGZ-ICPRKQRHSA-N
Compound name
methyl 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

285.17288 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 171.2
[M+Na]+ 308.162098 176.0
[M-H]- 284.165604 175.3
[M+NH4]+ 303.206703 187.4
[M+K]+ 324.136038 172.8
[M+H-H2O]+ 268.170140 163.8
[M+HCOO]- 330.171081 193.6
[M+CH3COO]- 344.186731 207.5
[M+Na-2H]- 306.147546 171.0
[M]+ 285.17233142 173.8
[M]- 285.17342858 173.8
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