CID 193968

Ciapilome

Structural Information

Molecular Formula
C7H6N4O2
SMILES
CC(=O)NN1C=C(C(=O)N=C1)C#N
InChI
InChI=1S/C7H6N4O2/c1-5(12)10-11-3-6(2-8)7(13)9-4-11/h3-4H,1H3,(H,10,12)
InChIKey
WMJNWYCBXNTPQN-UHFFFAOYSA-N
Compound name
N-(5-cyano-4-oxopyrimidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

178.04907 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.056346 134.8
[M+Na]+ 201.038288 145.1
[M-H]- 177.041794 135.5
[M+NH4]+ 196.082893 149.9
[M+K]+ 217.012228 143.6
[M+H-H2O]+ 161.046330 120.5
[M+HCOO]- 223.047271 154.1
[M+CH3COO]- 237.062921 193.9
[M+Na-2H]- 199.023736 140.9
[M]+ 178.04852142 130.0
[M]- 178.04961858 130.0
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

patents stripe