CID 6887875

2-(1,3-benzothiazol-2-ylthio)-n'-(3-methylbenzylidene)acetohydrazide

Structural Information

Molecular Formula
C17H15N3OS2
SMILES
CC1=CC(=CC=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C17H15N3OS2/c1-12-5-4-6-13(9-12)10-18-20-16(21)11-22-17-19-14-7-2-3-8-15(14)23-17/h2-10H,11H2,1H3,(H,20,21)/b18-10+
InChIKey
SQPHFICAWWGEPY-VCHYOVAHSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.06564 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07292 175.6
[M+Na]+ 364.05486 185.2
[M-H]- 340.05836 183.4
[M+NH4]+ 359.09946 191.8
[M+K]+ 380.02880 178.2
[M+H-H2O]+ 324.06290 168.0
[M+HCOO]- 386.06384 192.3
[M+CH3COO]- 400.07949 187.0
[M+Na-2H]- 362.04031 178.7
[M]+ 341.06509 181.2
[M]- 341.06619 181.2
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.