CID 135517419

Pyrimidoxime

Structural Information

Molecular Formula
C13H18N4O
SMILES
C[N+]1=CN(C=C1)CCC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C13H17N4O/c1-15-9-10-17(12-15)6-2-5-16-7-3-13(4-8-16)11-14-18/h3-4,7-12H,2,5-6H2,1H3/q+1/p+1
InChIKey
NRSXXHXAHVXZCY-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

246.14806 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 154.0
[M+Na]+ 269.13728 170.5
[M+NH4]+ 264.18188 162.9
[M+K]+ 285.11122 166.5
[M-H]- 245.14078 159.7
[M+Na-2H]- 267.12273 163.4
[M]+ 246.14751 158.5
[M]- 246.14861 158.5
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

No patent data available for this compound.