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 153.8
[M+Na]+ 277.09072 161.7
[M-H]- 253.09422 156.9
[M+NH4]+ 272.13532 168.2
[M+K]+ 293.06466 157.2
[M+H-H2O]+ 237.09876 150.2
[M+HCOO]- 299.09970 178.7
[M+CH3COO]- 313.11535 195.2
[M+Na-2H]- 275.07617 160.9
[M]+ 254.10095 157.3
[M]- 254.10205 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.