CID 372889

Nsc648601

Structural Information

Molecular Formula
C14H9Cl3N4O3
SMILES
C1=CN=CC=C1C(=O)NNC(=O)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C14H9Cl3N4O3/c15-8-5-10(17)11(6-9(8)16)19-13(23)14(24)21-20-12(22)7-1-3-18-4-2-7/h1-6H,(H,19,23)(H,20,22)(H,21,24)
InChIKey
WRDZXZSWMZLQAZ-UHFFFAOYSA-N
Compound name
2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]-N-(2,4,5-trichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

385.97403 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.98131 180.6
[M+Na]+ 408.96325 188.4
[M-H]- 384.96675 184.8
[M+NH4]+ 404.00785 191.6
[M+K]+ 424.93719 182.8
[M+H-H2O]+ 368.97129 174.4
[M+HCOO]- 430.97223 190.2
[M+CH3COO]- 444.98788 219.1
[M+Na-2H]- 406.94870 182.3
[M]+ 385.97348 183.6
[M]- 385.97458 183.6
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