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]+ 397.18703 193.7
[M+Na]+ 419.16897 195.7
[M-H]- 395.17247 199.4
[M+NH4]+ 414.21357 202.9
[M+K]+ 435.14291 191.9
[M+H-H2O]+ 379.17701 183.2
[M+HCOO]- 441.17795 219.2
[M+CH3COO]- 455.19360 230.5
[M+Na-2H]- 417.15442 196.3
[M]+ 396.17920 194.3
[M]- 396.18030 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.