CID 5388348

Nsc635134

Structural Information

Molecular Formula
C13H14N4O2S
SMILES
CC\1=NC2=CC=CC=C2S/C1=C(/C)\NNC(=O)C(=O)N
InChI
InChI=1S/C13H14N4O2S/c1-7-11(8(2)16-17-13(19)12(14)18)20-10-6-4-3-5-9(10)15-7/h3-6,16H,1-2H3,(H2,14,18)(H,17,19)/b11-8-
InChIKey
KXXSQSKVABCJNV-FLIBITNWSA-N
Compound name
2-[2-[(1Z)-1-(3-methyl-1,4-benzothiazin-2-ylidene)ethyl]hydrazinyl]-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08374 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09102 163.1
[M+Na]+ 313.07296 168.4
[M-H]- 289.07646 165.4
[M+NH4]+ 308.11756 177.5
[M+K]+ 329.04690 164.4
[M+H-H2O]+ 273.08100 155.6
[M+HCOO]- 335.08194 178.4
[M+CH3COO]- 349.09759 206.9
[M+Na-2H]- 311.05841 165.1
[M]+ 290.08319 161.0
[M]- 290.08429 161.0
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.