CID 9561287

Heptanal, (5-nitro-2-pyridyl)hydrazone

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CCCCCC/C=N/NC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H18N4O2/c1-2-3-4-5-6-9-14-15-12-8-7-11(10-13-12)16(17)18/h7-10H,2-6H2,1H3,(H,13,15)/b14-9+
InChIKey
ASZFTAAJUWXSEF-NTEUORMPSA-N
Compound name
N-[(E)-heptylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14297 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.150246 156.5
[M+Na]+ 273.132188 161.3
[M-H]- 249.135694 159.6
[M+NH4]+ 268.176793 171.6
[M+K]+ 289.106128 154.9
[M+H-H2O]+ 233.140230 152.6
[M+HCOO]- 295.141171 183.6
[M+CH3COO]- 309.156821 196.3
[M+Na-2H]- 271.117636 164.8
[M]+ 250.14242142 156.7
[M]- 250.14351858 156.7
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.