CID 364796

Nsc631555

Structural Information

Molecular Formula
C11H16Cl2N4O3
SMILES
CC(C)(C)NNC(=O)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl
InChI
InChI=1S/C11H16Cl2N4O3/c1-11(2,3)16-14-6(18)4-5-17-10(20)8(13)7(12)9(19)15-17/h16H,4-5H2,1-3H3,(H,14,18)(H,15,19)
InChIKey
SPZHRMWUYFFALS-UHFFFAOYSA-N
Compound name
N'-tert-butyl-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.05994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06722 169.4
[M+Na]+ 345.04916 179.2
[M-H]- 321.05266 169.5
[M+NH4]+ 340.09376 182.0
[M+K]+ 361.02310 173.4
[M+H-H2O]+ 305.05720 163.8
[M+HCOO]- 367.05814 180.2
[M+CH3COO]- 381.07379 207.0
[M+Na-2H]- 343.03461 172.4
[M]+ 322.05939 173.0
[M]- 322.06049 173.0
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.