CID 6884108

2-(1,3-benzothiazol-2-ylthio)-n'-(4-isopropylbenzylidene)acetohydrazide

Structural Information

Molecular Formula
C19H19N3OS2
SMILES
CC(C)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C19H19N3OS2/c1-13(2)15-9-7-14(8-10-15)11-20-22-18(23)12-24-19-21-16-5-3-4-6-17(16)25-19/h3-11,13H,12H2,1-2H3,(H,22,23)/b20-11+
InChIKey
FTMKVUJIOQBAFX-RGVLZGJSSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.09695 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.10423 184.7
[M+Na]+ 392.08617 192.8
[M-H]- 368.08967 192.1
[M+NH4]+ 387.13077 199.5
[M+K]+ 408.06011 186.1
[M+H-H2O]+ 352.09421 176.8
[M+HCOO]- 414.09515 199.6
[M+CH3COO]- 428.11080 195.0
[M+Na-2H]- 390.07162 186.0
[M]+ 369.09640 190.4
[M]- 369.09750 190.4
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.