CID 6298876

Nsc631547

Structural Information

Molecular Formula
C11H14Cl2N6O5
SMILES
CCO/C(=N\NC(=O)C(=O)NN)/CCN1C(=O)C(=C(C(=O)N1)Cl)Cl
InChI
InChI=1S/C11H14Cl2N6O5/c1-2-24-5(16-17-10(22)9(21)15-14)3-4-19-11(23)7(13)6(12)8(20)18-19/h2-4,14H2,1H3,(H,15,21)(H,17,22)(H,18,20)/b16-5-
InChIKey
LPISMVBZIIQJNY-BNCCVWRVSA-N
Compound name
ethyl (1Z)-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydrazinyl-2-oxoacetyl)propanehydrazonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.04028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.04756 179.3
[M+Na]+ 403.02950 187.2
[M-H]- 379.03300 180.5
[M+NH4]+ 398.07410 189.0
[M+K]+ 419.00344 183.3
[M+H-H2O]+ 363.03754 172.6
[M+HCOO]- 425.03848 193.8
[M+CH3COO]- 439.05413 222.2
[M+Na-2H]- 401.01495 179.9
[M]+ 380.03973 183.0
[M]- 380.04083 183.0
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.