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]+ 376.033946 182.8
[M+Na]+ 398.015888 192.4
[M-H]- 374.019394 190.7
[M+NH4]+ 393.060493 198.4
[M+K]+ 413.989828 184.9
[M+H-H2O]+ 358.023930 176.2
[M+HCOO]- 420.024871 193.9
[M+CH3COO]- 434.040521 193.6
[M+Na-2H]- 396.001336 184.6
[M]+ 375.02612142 190.0
[M]- 375.02721858 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.