CID 106164

67924-13-4

Structural Information

Molecular Formula

C₂₃H₂₇NO₂

SMILES

CCCCCCC(=CC1=CC=CC=C1)C=NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C23H27NO2/c1-3-4-5-7-14-20(17-19-12-8-6-9-13-19)18-24-22-16-11-10-15-21(22)23(25)26-2/h6,8-13,15-18H,3-5,7,14H2,1-2H3

InChIKey

XTFDJRLNMKZPCR-UHFFFAOYSA-N

Compound name

methyl 2-(2-benzylideneoctylideneamino)benzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2
Patents: 349.2042 Da
Monoisotopic Mass: 6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	350.211476	189.4
[M+Na]+	372.193418	192.9
[M-H]-	348.196924	195.9
[M+NH4]+	367.238023	202.3
[M+K]+	388.167358	188.0
[M+H-H2O]+	332.201460	179.7
[M+HCOO]-	394.202401	212.2
[M+CH3COO]-	408.218051	218.8
[M+Na-2H]-	370.178866	190.1
[M]+	349.20365142	192.3
[M]-	349.20474858	192.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe