CID 11979338

Nsc640967

Structural Information

Molecular Formula
C16H14N8O6S2
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H14N8O6S2/c1-6-11(32-16(17-6)23-20-7(2)25)12(26)21-22-14(28)13(27)19-15-18-9-4-3-8(24(29)30)5-10(9)31-15/h3-5H,1-2H3,(H,17,23)(H,20,25)(H,21,26)(H,22,28)(H,18,19,27)
InChIKey
ZAQRMGDCHDMUDD-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.04776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.05504 195.2
[M+Na]+ 501.03698 197.2
[M-H]- 477.04048 200.8
[M+NH4]+ 496.08158 202.2
[M+K]+ 517.01092 190.1
[M+H-H2O]+ 461.04502 191.4
[M+HCOO]- 523.04596 210.7
[M+CH3COO]- 537.06161 233.7
[M+Na-2H]- 499.02243 201.9
[M]+ 478.04721 195.9
[M]- 478.04831 195.9
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.