CID 369567

Nsc641433

Structural Information

Molecular Formula
C15H15ClN6O4S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H15ClN6O4S/c1-7-11(27-15(17-7)22-19-8(2)23)12(24)20-21-14(26)13(25)18-10-5-3-9(16)4-6-10/h3-6H,1-2H3,(H,17,22)(H,18,25)(H,19,23)(H,20,24)(H,21,26)
InChIKey
IHJOOMBCIZQOCJ-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-chlorophenyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.0564 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.06368 192.8
[M+Na]+ 433.04562 197.2
[M-H]- 409.04912 198.9
[M+NH4]+ 428.09022 203.4
[M+K]+ 449.01956 193.4
[M+H-H2O]+ 393.05366 184.7
[M+HCOO]- 455.05460 209.0
[M+CH3COO]- 469.07025 229.5
[M+Na-2H]- 431.03107 192.4
[M]+ 410.05585 195.5
[M]- 410.05695 195.5
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.