CID 135890663

4,4-medp

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC1=CC=[N+](C=C1)COC[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C14H16N3O2/c1-13-2-6-16(7-3-13)11-19-12-17-8-4-14(5-9-17)10-15-18/h2-10H,11-12H2,1H3/q+1/p+1
InChIKey
CNRDRAZLZHWBOM-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-[(4-methylpyridin-1-ium-1-yl)methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 156.9
[M+Na]+ 282.12130 174.9
[M+NH4]+ 277.16590 166.2
[M+K]+ 298.09524 168.6
[M-H]- 258.12480 163.9
[M+Na-2H]- 280.10675 167.9
[M]+ 259.13153 162.1
[M]- 259.13263 162.1
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.