CID 364795

Nsc631554

Structural Information

Molecular Formula
C8H10Cl2N6O3
SMILES
C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C(=O)NN=C(N)N
InChI
InChI=1S/C8H10Cl2N6O3/c9-4-5(10)7(19)16(15-6(4)18)2-1-3(17)13-14-8(11)12/h1-2H2,(H,13,17)(H,15,18)(H4,11,12,14)
InChIKey
WHDSXBVIZVRFSK-UHFFFAOYSA-N
Compound name
N-(diaminomethylideneamino)-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.01913 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02641 164.0
[M+Na]+ 331.00835 173.4
[M-H]- 307.01185 164.8
[M+NH4]+ 326.05295 176.3
[M+K]+ 346.98229 168.2
[M+H-H2O]+ 291.01639 157.8
[M+HCOO]- 353.01733 179.0
[M+CH3COO]- 367.03298 210.0
[M+Na-2H]- 328.99380 165.6
[M]+ 308.01858 164.3
[M]- 308.01968 164.3
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.