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]+ 184.08290 137.8
[M+Na]+ 206.06484 146.6
[M-H]- 182.06834 137.0
[M+NH4]+ 201.10944 152.6
[M+K]+ 222.03878 144.1
[M+H-H2O]+ 166.07288 129.8
[M+HCOO]- 228.07382 159.8
[M+CH3COO]- 242.08947 183.0
[M+Na-2H]- 204.05029 145.2
[M]+ 183.07507 136.3
[M]- 183.07617 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.