CID 135472413

202872-48-8

Structural Information

Molecular Formula
C22H26N4O4
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CCCCCCC(=O)N/N=C/C2=CC=CC=C2O)O
InChI
InChI=1S/C22H26N4O4/c27-19-11-7-5-9-17(19)15-23-25-21(29)13-3-1-2-4-14-22(30)26-24-16-18-10-6-8-12-20(18)28/h5-12,15-16,27-28H,1-4,13-14H2,(H,25,29)(H,26,30)/b23-15+,24-16+
InChIKey
REOYKGWNUWALSU-DFEHQXHXSA-N
Compound name
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]octanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20268 197.9
[M+Na]+ 433.18462 199.5
[M-H]- 409.18812 203.4
[M+NH4]+ 428.22922 206.5
[M+K]+ 449.15856 195.5
[M+H-H2O]+ 393.19266 187.3
[M+HCOO]- 455.19360 223.1
[M+CH3COO]- 469.20925 233.5
[M+Na-2H]- 431.17007 200.0
[M]+ 410.19485 198.8
[M]- 410.19595 198.8
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.