CID 105653

Methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC(=CCCC(=CC=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
InChIKey
JWXAUDGXBFALGZ-UHFFFAOYSA-N
Compound name
methyl 2-(3,7-dimethylocta-2,6-dienylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

285.17288 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 171.2
[M+Na]+ 308.16210 176.0
[M-H]- 284.16560 175.3
[M+NH4]+ 303.20670 187.4
[M+K]+ 324.13604 172.8
[M+H-H2O]+ 268.17014 163.8
[M+HCOO]- 330.17108 193.6
[M+CH3COO]- 344.18673 207.5
[M+Na-2H]- 306.14755 171.0
[M]+ 285.17233 173.8
[M]- 285.17343 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

No patent data available for this compound.