CID 6883208

N'-(9-anthrylmethylene)-2-(1,3-benzothiazol-2-ylsulfanyl)acetohydrazide

Structural Information

Molecular Formula
C24H17N3OS2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)CSC4=NC5=CC=CC=C5S4
InChI
InChI=1S/C24H17N3OS2/c28-23(15-29-24-26-21-11-5-6-12-22(21)30-24)27-25-14-20-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)20/h1-14H,15H2,(H,27,28)/b25-14+
InChIKey
BVOLUJVEUVHFLH-AFUMVMLFSA-N
Compound name
N-[(E)-anthracen-9-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.0813 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.08858 192.0
[M+Na]+ 450.07052 208.4
[M+NH4]+ 445.11512 202.2
[M+K]+ 466.04446 195.5
[M-H]- 426.07402 199.9
[M+Na-2H]- 448.05597 202.3
[M]+ 427.08075 197.8
[M]- 427.08185 197.8
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.