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 194.5
[M+Na]+ 450.07052 205.3
[M-H]- 426.07402 203.7
[M+NH4]+ 445.11512 208.9
[M+K]+ 466.04446 196.7
[M+H-H2O]+ 410.07856 186.7
[M+HCOO]- 472.07950 210.1
[M+CH3COO]- 486.09515 204.8
[M+Na-2H]- 448.05597 201.7
[M]+ 427.08075 202.0
[M]- 427.08185 202.0
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.