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]+ 411.202676 197.9
[M+Na]+ 433.184618 199.5
[M-H]- 409.188124 203.4
[M+NH4]+ 428.229223 206.5
[M+K]+ 449.158558 195.5
[M+H-H2O]+ 393.192660 187.3
[M+HCOO]- 455.193601 223.1
[M+CH3COO]- 469.209251 233.5
[M+Na-2H]- 431.170066 200.0
[M]+ 410.19485142 198.8
[M]- 410.19594858 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.