CID 6444834

Nor-4

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

246
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 169.4
[M+Na]+ 329.12202 171.3
[M-H]- 305.12552 170.8
[M+NH4]+ 324.16662 180.6
[M+K]+ 345.09596 165.7
[M+H-H2O]+ 289.13006 165.4
[M+HCOO]- 351.13100 191.3
[M+CH3COO]- 365.14665 202.2
[M+Na-2H]- 327.10747 172.6
[M]+ 306.13225 166.5
[M]- 306.13335 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

patents stripe