CID 504354

3-ethyl-4-imino-2-oxo-1h-pyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C7H8N4O
SMILES
CCN1C(=C(C=NC1=O)C#N)N
InChI
InChI=1S/C7H8N4O/c1-2-11-6(9)5(3-8)4-10-7(11)12/h4H,2,9H2,1H3
InChIKey
NFVJKBXXTGQQPI-UHFFFAOYSA-N
Compound name
6-amino-1-ethyl-2-oxopyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06981 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.077086 131.9
[M+Na]+ 187.059028 143.2
[M-H]- 163.062534 132.5
[M+NH4]+ 182.103633 147.8
[M+K]+ 203.032968 141.1
[M+H-H2O]+ 147.067070 118.1
[M+HCOO]- 209.068011 151.3
[M+CH3COO]- 223.083661 193.1
[M+Na-2H]- 185.044476 137.7
[M]+ 164.06926142 126.7
[M]- 164.07035858 126.7
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.