CID 6537069

Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, (3-methylbutylidene)hydrazide

Structural Information

Molecular Formula
C15H18N4O2S
SMILES
CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)N/N=C\CC(C)C
InChI
InChI=1S/C15H18N4O2S/c1-9(2)6-7-16-19-14(21)13(20)18-15-17-11-5-4-10(3)8-12(11)22-15/h4-5,7-9H,6H2,1-3H3,(H,19,21)(H,17,18,20)/b16-7-
InChIKey
NMRKSBMQLQAHSG-APSNUPSMSA-N
Compound name
N-(6-methyl-1,3-benzothiazol-2-yl)-N'-[(Z)-3-methylbutylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11505 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12233 174.4
[M+Na]+ 341.10427 181.3
[M-H]- 317.10777 179.4
[M+NH4]+ 336.14887 190.9
[M+K]+ 357.07821 177.9
[M+H-H2O]+ 301.11231 166.6
[M+HCOO]- 363.11325 194.8
[M+CH3COO]- 377.12890 214.1
[M+Na-2H]- 339.08972 175.9
[M]+ 318.11450 179.3
[M]- 318.11560 179.3
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.