CID 3067017

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

Structural Information

Molecular Formula
C8H13N5O3S
SMILES
CCS(=O)(=O)C1=NC(=C(N=N1)C(=O)NC)NC
InChI
InChI=1S/C8H13N5O3S/c1-4-17(15,16)8-11-6(9-2)5(12-13-8)7(14)10-3/h4H2,1-3H3,(H,10,14)(H,9,11,13)
InChIKey
ZCKXMYOUVNXVKS-UHFFFAOYSA-N
Compound name
3-ethylsulfonyl-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0739 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08118 156.1
[M+Na]+ 282.06312 164.8
[M-H]- 258.06662 156.5
[M+NH4]+ 277.10772 169.0
[M+K]+ 298.03706 161.7
[M+H-H2O]+ 242.07116 148.2
[M+HCOO]- 304.07210 172.3
[M+CH3COO]- 318.08775 197.0
[M+Na-2H]- 280.04857 161.0
[M]+ 259.07335 159.2
[M]- 259.07445 159.2
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.