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: 1
Patents: 246.14806 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.155336	158.5
[M+Na]+	269.137278	166.2
[M-H]-	245.140784	162.0
[M+NH4]+	264.181883	172.6
[M+K]+	285.111218	151.4
[M+H-H2O]+	229.145320	154.2
[M+HCOO]-	291.146261	180.4
[M+CH3COO]-	305.161911	182.2
[M+Na-2H]-	267.122726	168.4
[M]+	246.14751142	157.5
[M]-	246.14860858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.