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]+ 255.108776 153.8
[M+Na]+ 277.090718 161.7
[M-H]- 253.094224 156.9
[M+NH4]+ 272.135323 168.2
[M+K]+ 293.064658 157.2
[M+H-H2O]+ 237.098760 150.2
[M+HCOO]- 299.099701 178.7
[M+CH3COO]- 313.115351 195.2
[M+Na-2H]- 275.076166 160.9
[M]+ 254.10095142 157.3
[M]- 254.10204858 157.3
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.