CID 9561287

28050-85-3

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]+ 251.15025 156.5
[M+Na]+ 273.13219 161.3
[M-H]- 249.13569 159.6
[M+NH4]+ 268.17679 171.6
[M+K]+ 289.10613 154.9
[M+H-H2O]+ 233.14023 152.6
[M+HCOO]- 295.14117 183.6
[M+CH3COO]- 309.15682 196.3
[M+Na-2H]- 271.11764 164.8
[M]+ 250.14242 156.7
[M]- 250.14352 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.