CID 9570915

Acetic acid, (2-benzothiazolylthio)-, ((2,3-dihydro-2-oxo-1h-indol-3-yl)methylene)hydrazide

Structural Information

Molecular Formula
C18H14N4O2S2
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C18H14N4O2S2/c23-16(10-25-18-21-14-7-3-4-8-15(14)26-18)22-19-9-12-11-5-1-2-6-13(11)20-17(12)24/h1-9,12H,10H2,(H,20,24)(H,22,23)/b19-9+
InChIKey
BSLRVIWFFUKICF-DJKKODMXSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.05582 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.06310 183.5
[M+Na]+ 405.04504 193.6
[M-H]- 381.04854 190.1
[M+NH4]+ 400.08964 199.0
[M+K]+ 421.01898 186.6
[M+H-H2O]+ 365.05308 177.6
[M+HCOO]- 427.05402 197.3
[M+CH3COO]- 441.06967 193.9
[M+Na-2H]- 403.03049 185.6
[M]+ 382.05527 188.5
[M]- 382.05637 188.5
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.