CID 5976263

Brn 0429389

Structural Information

Molecular Formula
C14H14N4O3
SMILES
CCOC1=CC=CC=C1/C=N\NC2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O3/c1-2-21-13-6-4-3-5-11(13)9-16-17-14-8-7-12(10-15-14)18(19)20/h3-10H,2H2,1H3,(H,15,17)/b16-9-
InChIKey
JGIOVVVMPBCGGA-SXGWCWSVSA-N
Compound name
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1066 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11388 162.0
[M+Na]+ 309.09582 167.5
[M-H]- 285.09932 168.7
[M+NH4]+ 304.14042 175.1
[M+K]+ 325.06976 160.5
[M+H-H2O]+ 269.10386 156.8
[M+HCOO]- 331.10480 189.9
[M+CH3COO]- 345.12045 201.2
[M+Na-2H]- 307.08127 171.4
[M]+ 286.10605 162.0
[M]- 286.10715 162.0
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.