CID 6871206

2-(1,3-benzothiazol-2-ylsulfanyl)-n'-[(1e,2e)-3-phenylprop-2-en-1-ylidene]acetohydrazide

Structural Information

Molecular Formula
C18H15N3OS2
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C18H15N3OS2/c22-17(21-19-12-6-9-14-7-2-1-3-8-14)13-23-18-20-15-10-4-5-11-16(15)24-18/h1-12H,13H2,(H,21,22)/b9-6+,19-12+
InChIKey
IFKYKGJHXRRTER-YKIVCEQRSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.06564 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07292 179.4
[M+Na]+ 376.05486 188.1
[M-H]- 352.05836 186.7
[M+NH4]+ 371.09946 194.8
[M+K]+ 392.02880 180.4
[M+H-H2O]+ 336.06290 171.5
[M+HCOO]- 398.06384 196.0
[M+CH3COO]- 412.07949 190.1
[M+Na-2H]- 374.04031 182.7
[M]+ 353.06509 184.1
[M]- 353.06619 184.1
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.