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]+ 397.078746 190.0
[M+Na]+ 419.060688 200.8
[M-H]- 395.064194 198.1
[M+NH4]+ 414.105293 205.8
[M+K]+ 435.034628 194.3
[M+H-H2O]+ 379.068730 183.7
[M+HCOO]- 441.069671 204.8
[M+CH3COO]- 455.085321 200.8
[M+Na-2H]- 417.046136 191.0
[M]+ 396.07092142 197.4
[M]- 396.07201858 197.4
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.