CID 369564

Nsc641428

Structural Information

Molecular Formula
C15H14Cl2N6O4S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H14Cl2N6O4S/c1-6-11(28-15(18-6)23-20-7(2)24)12(25)21-22-14(27)13(26)19-10-4-3-8(16)5-9(10)17/h3-5H,1-2H3,(H,18,23)(H,19,26)(H,20,24)(H,21,25)(H,22,27)
InChIKey
FJQNSNJBKBRASC-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,4-dichlorophenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.01743 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.02471 199.7
[M+Na]+ 467.00665 205.1
[M-H]- 443.01015 205.7
[M+NH4]+ 462.05125 209.8
[M+K]+ 482.98059 200.4
[M+H-H2O]+ 427.01469 193.1
[M+HCOO]- 489.01563 211.0
[M+CH3COO]- 503.03128 234.5
[M+Na-2H]- 464.99210 197.9
[M]+ 444.01688 204.1
[M]- 444.01798 204.1
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.