CID 6444834

163180-50-5

Structural Information

Molecular Formula
C14H18N4O4
SMILES
CC/C(=C\C(=N/O)\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)/b11-7+,17-13+
InChIKey
KIWSYRHAAPLJFJ-QHMSGILQSA-N
Compound name
N-[(E,2E)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

326
Patents

306.1328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.140076 169.4
[M+Na]+ 329.122018 171.3
[M-H]- 305.125524 170.8
[M+NH4]+ 324.166623 180.6
[M+K]+ 345.095958 165.7
[M+H-H2O]+ 289.130060 165.4
[M+HCOO]- 351.131001 191.3
[M+CH3COO]- 365.146651 202.2
[M+Na-2H]- 327.107466 172.6
[M]+ 306.13225142 166.5
[M]- 306.13334858 166.5
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.