CID 135555071

N'(1),n'(7)-bis(2-hydroxybenzylidene)heptanedihydrazide

Structural Information

Molecular Formula
C21H24N4O4
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CCCCCC(=O)N/N=C/C2=CC=CC=C2O)O
InChI
InChI=1S/C21H24N4O4/c26-18-10-6-4-8-16(18)14-22-24-20(28)12-2-1-3-13-21(29)25-23-15-17-9-5-7-11-19(17)27/h4-11,14-15,26-27H,1-3,12-13H2,(H,24,28)(H,25,29)/b22-14+,23-15+
InChIKey
RAMUQHCNMRUSKG-HOFJZWJUSA-N
Compound name
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]heptanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.17975 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.187026 193.7
[M+Na]+ 419.168968 195.7
[M-H]- 395.172474 199.4
[M+NH4]+ 414.213573 202.9
[M+K]+ 435.142908 191.9
[M+H-H2O]+ 379.177010 183.2
[M+HCOO]- 441.177951 219.2
[M+CH3COO]- 455.193601 230.5
[M+Na-2H]- 417.154416 196.3
[M]+ 396.17920142 194.3
[M]- 396.18029858 194.3
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.