CID 9626003

N'(1),n'(8)-dibenzylideneoctanedihydrazide

Structural Information

Molecular Formula
C22H26N4O2
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CCCCCCC(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C22H26N4O2/c27-21(25-23-17-19-11-5-3-6-12-19)15-9-1-2-10-16-22(28)26-24-18-20-13-7-4-8-14-20/h3-8,11-14,17-18H,1-2,9-10,15-16H2,(H,25,27)(H,26,28)/b23-17+,24-18+
InChIKey
LDWMFPRPPWASFX-GJHDBBOXSA-N
Compound name
N,N'-bis[(E)-benzylideneamino]octanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 192.7
[M+Na]+ 401.19479 193.6
[M-H]- 377.19829 200.1
[M+NH4]+ 396.23939 203.5
[M+K]+ 417.16873 189.6
[M+H-H2O]+ 361.20283 181.5
[M+HCOO]- 423.20377 220.5
[M+CH3COO]- 437.21942 231.0
[M+Na-2H]- 399.18024 196.7
[M]+ 378.20502 193.7
[M]- 378.20612 193.7
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.