CID 4532

Nor-4

Structural Information

Molecular Formula
C14H18N4O4
SMILES
CCC(=CC(=NO)CNC(=O)C1=CN=CC=C1)C(C)[N+](=O)[O-]
InChI
InChI=1S/C14H18N4O4/c1-3-11(10(2)18(21)22)7-13(17-20)9-16-14(19)12-5-4-6-15-8-12/h4-8,10,20H,3,9H2,1-2H3,(H,16,19)
InChIKey
KIWSYRHAAPLJFJ-UHFFFAOYSA-N
Compound name
N-(4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

210
Patents

306.1328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14008 168.1
[M+Na]+ 329.12202 175.5
[M+NH4]+ 324.16662 171.8
[M+K]+ 345.09596 175.1
[M-H]- 305.12552 168.7
[M+Na-2H]- 327.10747 170.7
[M]+ 306.13225 168.5
[M]- 306.13335 168.5
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

patents stripe