CID 7460630

303105-79-5

Structural Information

Molecular Formula
C17H14ClN3OS2
SMILES
C/C(=N\NC(=O)CSC1=NC2=CC=CC=C2S1)/C3=CC=CC=C3Cl
InChI
InChI=1S/C17H14ClN3OS2/c1-11(12-6-2-3-7-13(12)18)20-21-16(22)10-23-17-19-14-8-4-5-9-15(14)24-17/h2-9H,10H2,1H3,(H,21,22)/b20-11+
InChIKey
YUDGOBQWMKLQFE-RGVLZGJSSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.02667 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.03395 182.8
[M+Na]+ 398.01589 192.4
[M-H]- 374.01939 190.7
[M+NH4]+ 393.06049 198.4
[M+K]+ 413.98983 184.9
[M+H-H2O]+ 358.02393 176.2
[M+HCOO]- 420.02487 193.9
[M+CH3COO]- 434.04052 193.6
[M+Na-2H]- 396.00134 184.6
[M]+ 375.02612 190.0
[M]- 375.02722 190.0
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.