CID 135539427

Trimedoxime ion

Structural Information

Molecular Formula
C15H18N4O2
SMILES
C1=C[N+](=CC=C1/C=N/O)CCC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C15H16N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-13H,1,6-7H2/p+2
InChIKey
LJYGXPCCGGSATE-UHFFFAOYSA-P
Compound name
(NE)-N-[[1-[3-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

181
References

493
Patents

286.14297 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15025 163.7
[M+Na]+ 309.13219 180.2
[M+NH4]+ 304.17679 172.0
[M+K]+ 325.10613 174.0
[M-H]- 285.13569 170.6
[M+Na-2H]- 307.11764 174.0
[M]+ 286.14242 168.5
[M]- 286.14352 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

literature stripe

Patent stripe

patents stripe