CID 331841

Nsc326860

Structural Information

Molecular Formula
C21H13Cl4N5O4
SMILES
C1=CC(=NC(=C1)C(=O)NNC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H13Cl4N5O4/c22-12-6-4-10(8-14(12)24)18(31)27-29-20(33)16-2-1-3-17(26-16)21(34)30-28-19(32)11-5-7-13(23)15(25)9-11/h1-9H,(H,27,31)(H,28,32)(H,29,33)(H,30,34)
InChIKey
CNEZBNLSRHGSBZ-UHFFFAOYSA-N
Compound name
2-N',6-N'-bis(3,4-dichlorobenzoyl)pyridine-2,6-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

538.97217 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.97945 213.6
[M+Na]+ 561.96139 219.7
[M-H]- 537.96489 219.2
[M+NH4]+ 557.00599 218.2
[M+K]+ 577.93533 214.7
[M+H-H2O]+ 521.96943 206.6
[M+HCOO]- 583.97037 217.4
[M+CH3COO]- 597.98602 247.8
[M+Na-2H]- 559.94684 212.0
[M]+ 538.97162 217.5
[M]- 538.97272 217.5
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

patents stripe