CID 6079094

Nsc631549

Structural Information

Molecular Formula
C10H14N6O4
SMILES
C/C(=N\NC(=O)C(=O)NN)/CCN1C(=O)C=CC(=O)N1
InChI
InChI=1S/C10H14N6O4/c1-6(13-14-10(20)9(19)12-11)4-5-16-8(18)3-2-7(17)15-16/h2-3H,4-5,11H2,1H3,(H,12,19)(H,14,20)(H,15,17)/b13-6+
InChIKey
VLHZSTKQVNSWNF-AWNIVKPZSA-N
Compound name
N-[(E)-4-(3,6-dioxo-1H-pyridazin-2-yl)butan-2-ylideneamino]-2-hydrazinyl-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10767 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11495 160.6
[M+Na]+ 305.09689 166.4
[M-H]- 281.10039 161.7
[M+NH4]+ 300.14149 172.1
[M+K]+ 321.07083 164.6
[M+H-H2O]+ 265.10493 151.5
[M+HCOO]- 327.10587 184.5
[M+CH3COO]- 341.12152 207.2
[M+Na-2H]- 303.08234 164.0
[M]+ 282.10712 158.5
[M]- 282.10822 158.5
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.