CID 135412781

Obidoxime

Structural Information

Molecular Formula
C14H16N4O3
SMILES
C1=C[N+](=CC=C1/C=N/O)COC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2
InChIKey
HIGRLDNHDGYWQJ-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

401
References

1538
Patents

288.12225 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 162.3
[M+Na]+ 311.11147 178.6
[M+NH4]+ 306.15607 170.2
[M+K]+ 327.08541 173.2
[M-H]- 287.11497 168.8
[M+Na-2H]- 309.09692 172.4
[M]+ 288.12170 166.9
[M]- 288.12280 166.9
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