CID 50212

68527-78-6

Structural Information

Molecular Formula
C22H25NO2
SMILES
CCCCCC(=CC1=CC=CC=C1)C=NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C22H25NO2/c1-3-4-6-13-19(16-18-11-7-5-8-12-18)17-23-21-15-10-9-14-20(21)22(24)25-2/h5,7-12,14-17H,3-4,6,13H2,1-2H3
InChIKey
YQIWYASBSBXASC-UHFFFAOYSA-N
Compound name
methyl 2-(2-benzylideneheptylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

335.18854 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 184.8
[M+Na]+ 358.17776 188.7
[M-H]- 334.18126 191.5
[M+NH4]+ 353.22236 198.3
[M+K]+ 374.15170 184.1
[M+H-H2O]+ 318.18580 175.4
[M+HCOO]- 380.18674 207.9
[M+CH3COO]- 394.20239 215.8
[M+Na-2H]- 356.16321 186.1
[M]+ 335.18799 187.3
[M]- 335.18909 187.3
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

No patent data available for this compound.