CID 840521

Brn 4694966

Structural Information

Molecular Formula
C10H14N4O4
SMILES
CN(C)/C=C/C1=C(C(=NC(=N1)OC)OC)[N+](=O)[O-]
InChI
InChI=1S/C10H14N4O4/c1-13(2)6-5-7-8(14(15)16)9(17-3)12-10(11-7)18-4/h5-6H,1-4H3/b6-5+
InChIKey
PIBBRKLIDJCOTC-AATRIKPKSA-N
Compound name
(E)-2-(2,6-dimethoxy-5-nitropyrimidin-4-yl)-N,N-dimethylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

254.1015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10878 153.6
[M+Na]+ 277.09072 165.5
[M+NH4]+ 272.13532 158.9
[M+K]+ 293.06466 163.7
[M-H]- 253.09422 155.1
[M+Na-2H]- 275.07617 158.1
[M]+ 254.10095 155.3
[M]- 254.10205 155.3
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

No patent data available for this compound.