CID 3048822

As-triazine-6-carboxamide, 3-hydroxy-n-methyl-5-(methylamino)-, hydrate

Structural Information

Molecular Formula
C6H9N5O2
SMILES
CNC1=NC(=O)NN=C1C(=O)NC
InChI
InChI=1S/C6H9N5O2/c1-7-4-3(5(12)8-2)10-11-6(13)9-4/h1-2H3,(H,8,12)(H2,7,9,11,13)
InChIKey
NCQIPMVIVOABDU-UHFFFAOYSA-N
Compound name
N-methyl-5-(methylamino)-3-oxo-2H-1,2,4-triazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.07562 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.082896 137.8
[M+Na]+ 206.064838 146.6
[M-H]- 182.068344 137.0
[M+NH4]+ 201.109443 152.6
[M+K]+ 222.038778 144.1
[M+H-H2O]+ 166.072880 129.8
[M+HCOO]- 228.073821 159.8
[M+CH3COO]- 242.089471 183.0
[M+Na-2H]- 204.050286 145.2
[M]+ 183.07507142 136.3
[M]- 183.07616858 136.3
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.