CID 11979343

Nsc641442

Structural Information

Molecular Formula
C15H13Cl2N7O6S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H13Cl2N7O6S/c1-5-11(31-15(18-5)23-20-6(2)25)12(26)21-22-14(28)13(27)19-10-8(16)3-7(24(29)30)4-9(10)17/h3-4H,1-2H3,(H,18,23)(H,19,27)(H,20,25)(H,21,26)(H,22,28)
InChIKey
CSOROTMZQBWXDV-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,6-dichloro-4-nitrophenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.0025 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.00978 204.4
[M+Na]+ 511.99172 206.8
[M-H]- 487.99522 209.8
[M+NH4]+ 507.03632 211.1
[M+K]+ 527.96566 199.4
[M+H-H2O]+ 471.99976 202.1
[M+HCOO]- 534.00070 216.2
[M+CH3COO]- 548.01635 235.3
[M+Na-2H]- 509.97717 205.4
[M]+ 489.00195 206.5
[M]- 489.00305 206.5
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

No patent data available for this compound.