CID 5942099

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-DNZSEPECSA-N
Compound name
N-[(E,2Z)-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 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

literature stripe

Patent stripe

patents stripe