CID 264346

Nsc99406

Structural Information

Molecular Formula
C9H8N4O
SMILES
CCN1C=NC2=C(C1=O)C(=CN2)C#N
InChI
InChI=1S/C9H8N4O/c1-2-13-5-12-8-7(9(13)14)6(3-10)4-11-8/h4-5,11H,2H2,1H3
InChIKey
OIFYDPGPEQPCKV-UHFFFAOYSA-N
Compound name
3-ethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06981 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07709 138.3
[M+Na]+ 211.05903 151.5
[M-H]- 187.06253 137.3
[M+NH4]+ 206.10363 154.3
[M+K]+ 227.03297 146.3
[M+H-H2O]+ 171.06707 123.8
[M+HCOO]- 233.06801 155.8
[M+CH3COO]- 247.08366 149.9
[M+Na-2H]- 209.04448 144.3
[M]+ 188.06926 134.8
[M]- 188.07036 134.8
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.