CID 3067015

Brn 5030524

Structural Information

Molecular Formula
C7H13N7O
SMILES
CNC1=C(N=NC(=N1)N(C)N)C(=O)NC
InChI
InChI=1S/C7H13N7O/c1-9-5-4(6(15)10-2)12-13-7(11-5)14(3)8/h8H2,1-3H3,(H,10,15)(H,9,11,13)
InChIKey
GXIZMYWGKYEILZ-UHFFFAOYSA-N
Compound name
3-[amino(methyl)amino]-N-methyl-5-(methylamino)-1,2,4-triazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11816 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12544 146.9
[M+Na]+ 234.10738 154.0
[M-H]- 210.11088 148.4
[M+NH4]+ 229.15198 161.1
[M+K]+ 250.08132 153.4
[M+H-H2O]+ 194.11542 137.7
[M+HCOO]- 256.11636 171.6
[M+CH3COO]- 270.13201 200.4
[M+Na-2H]- 232.09283 153.6
[M]+ 211.11761 145.7
[M]- 211.11871 145.7
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.