CID 385944

Nsc677416

Structural Information

Molecular Formula
C7H5N5O
SMILES
CC(=O)NC1=C(NC(=N1)C#N)C#N
InChI
InChI=1S/C7H5N5O/c1-4(13)10-7-5(2-8)11-6(3-9)12-7/h1H3,(H,10,13)(H,11,12)
InChIKey
WNZDAVHXNPEVHT-UHFFFAOYSA-N
Compound name
N-(2,5-dicyano-1H-imidazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.04941 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05669 148.5
[M+Na]+ 198.03863 157.2
[M-H]- 174.04213 148.5
[M+NH4]+ 193.08323 159.8
[M+K]+ 214.01257 155.5
[M+H-H2O]+ 158.04667 131.4
[M+HCOO]- 220.04761 159.5
[M+CH3COO]- 234.06326 212.9
[M+Na-2H]- 196.02408 149.5
[M]+ 175.04886 138.9
[M]- 175.04996 138.9
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.