CID 3067016

Brn 5066150

Structural Information

Molecular Formula
C12H14N6O
SMILES
CNC1=C(N=NC(=N1)NC2=CC=CC=C2)C(=O)NC
InChI
InChI=1S/C12H14N6O/c1-13-10-9(11(19)14-2)17-18-12(16-10)15-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,19)(H2,13,15,16,18)
InChIKey
FJAQXDGWNUDZGG-UHFFFAOYSA-N
Compound name
3-anilino-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1229 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13018 158.2
[M+Na]+ 281.11212 165.0
[M-H]- 257.11562 161.4
[M+NH4]+ 276.15672 169.9
[M+K]+ 297.08606 161.1
[M+H-H2O]+ 241.12016 147.9
[M+HCOO]- 303.12110 181.8
[M+CH3COO]- 317.13675 203.1
[M+Na-2H]- 279.09757 166.6
[M]+ 258.12235 156.8
[M]- 258.12345 156.8
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.