CID 9570916

94768-96-4

Structural Information

Molecular Formula
C19H16N4O2S2
SMILES
CN1C2=CC=CC=C2C(C1=O)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C19H16N4O2S2/c1-23-15-8-4-2-6-12(15)13(18(23)25)10-20-22-17(24)11-26-19-21-14-7-3-5-9-16(14)27-19/h2-10,13H,11H2,1H3,(H,22,24)/b20-10+
InChIKey
AJLYNWYBJPOFFI-KEBDBYFISA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(1-methyl-2-oxo-3H-indol-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.07147 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.07875 188.4
[M+Na]+ 419.06069 199.8
[M+NH4]+ 414.10529 196.2
[M+K]+ 435.03463 192.0
[M-H]- 395.06419 192.8
[M+Na-2H]- 417.04614 193.7
[M]+ 396.07092 192.0
[M]- 396.07202 192.0
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.