CID 326491

N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide

Structural Information

Molecular Formula
C5H8N6O
SMILES
CC(=O)NC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C5H8N6O/c1-2(12)8-5-10-3(6)9-4(7)11-5/h1H3,(H5,6,7,8,9,10,11,12)
InChIKey
REVYMWLDXAUASZ-UHFFFAOYSA-N
Compound name
N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

168.07596 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.083236 134.9
[M+Na]+ 191.065178 143.6
[M-H]- 167.068684 134.7
[M+NH4]+ 186.109783 150.3
[M+K]+ 207.039118 141.6
[M+H-H2O]+ 151.073220 126.7
[M+HCOO]- 213.074161 158.2
[M+CH3COO]- 227.089811 185.1
[M+Na-2H]- 189.050626 141.7
[M]+ 168.07541142 131.5
[M]- 168.07650858 131.5
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