CID 6869267

N'(1),n'(4)-bis(3-nitrobenzylidene)succinohydrazide

Structural Information

Molecular Formula
C18H16N6O6
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)CCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C18H16N6O6/c25-17(21-19-11-13-3-1-5-15(9-13)23(27)28)7-8-18(26)22-20-12-14-4-2-6-16(10-14)24(29)30/h1-6,9-12H,7-8H2,(H,21,25)(H,22,26)/b19-11+,20-12+
InChIKey
AETPYYRISBLCBQ-AYKLPDECSA-N
Compound name
N,N'-bis[(E)-(3-nitrophenyl)methylideneamino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.11313 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12041 189.8
[M+Na]+ 435.10235 189.7
[M-H]- 411.10585 197.5
[M+NH4]+ 430.14695 230.9
[M+K]+ 451.07629 179.8
[M+H-H2O]+ 395.11039 187.3
[M+HCOO]- 457.11133 218.9
[M+CH3COO]- 471.12698 222.5
[M+Na-2H]- 433.08780 197.9
[M]+ 412.11258 186.5
[M]- 412.11368 186.5
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.