CID 9571562

Nsc683286

Structural Information

Molecular Formula
C10H14N8O2
SMILES
CC1=NNC(=O)N1/N=C/CC/C=N/N2C(=O)NN=C2C
InChI
InChI=1S/C10H14N8O2/c1-7-13-15-9(19)17(7)11-5-3-4-6-12-18-8(2)14-16-10(18)20/h5-6H,3-4H2,1-2H3,(H,15,19)(H,16,20)/b11-5+,12-6+
InChIKey
DHEPEEHQCNITBU-YDWXAUTNSA-N
Compound name
3-methyl-4-[(E)-[(4E)-4-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)imino]butylidene]amino]-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12396 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13124 161.8
[M+Na]+ 301.11318 173.5
[M-H]- 277.11668 163.1
[M+NH4]+ 296.15778 173.2
[M+K]+ 317.08712 168.6
[M+H-H2O]+ 261.12122 151.3
[M+HCOO]- 323.12216 185.3
[M+CH3COO]- 337.13781 201.6
[M+Na-2H]- 299.09863 165.3
[M]+ 278.12341 165.3
[M]- 278.12451 165.3
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.