CID 135539427

Trimedoxime

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

182
References

554
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 167.9
[M+Na]+ 309.13219 174.1
[M-H]- 285.13569 172.3
[M+NH4]+ 304.17679 179.4
[M+K]+ 325.10613 158.4
[M+H-H2O]+ 269.14023 163.3
[M+HCOO]- 331.14117 191.0
[M+CH3COO]- 345.15682 190.4
[M+Na-2H]- 307.11764 179.7
[M]+ 286.14242 166.3
[M]- 286.14352 166.3
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