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
1
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]+ 179.05635 134.8
[M+Na]+ 201.03829 145.1
[M-H]- 177.04179 135.5
[M+NH4]+ 196.08289 149.9
[M+K]+ 217.01223 143.6
[M+H-H2O]+ 161.04633 120.5
[M+HCOO]- 223.04727 154.1
[M+CH3COO]- 237.06292 193.9
[M+Na-2H]- 199.02374 140.9
[M]+ 178.04852 130.0
[M]- 178.04962 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

No patent data available for this compound.