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 158.5
[M+Na]+ 269.13728 166.2
[M-H]- 245.14078 162.0
[M+NH4]+ 264.18188 172.6
[M+K]+ 285.11122 151.4
[M+H-H2O]+ 229.14532 154.2
[M+HCOO]- 291.14626 180.4
[M+CH3COO]- 305.16191 182.2
[M+Na-2H]- 267.12273 168.4
[M]+ 246.14751 157.5
[M]- 246.14861 157.5
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.