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]+ 165.07709 131.9
[M+Na]+ 187.05903 143.2
[M-H]- 163.06253 132.5
[M+NH4]+ 182.10363 147.8
[M+K]+ 203.03297 141.1
[M+H-H2O]+ 147.06707 118.1
[M+HCOO]- 209.06801 151.3
[M+CH3COO]- 223.08366 193.1
[M+Na-2H]- 185.04448 137.7
[M]+ 164.06926 126.7
[M]- 164.07036 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.