CID 6871208

2-(1,3-benzothiazol-2-ylsulfanyl)-n'-{(e)-[4-(diethylamino)phenyl]methylidene}acetohydrazide

Structural Information

Molecular Formula
C20H22N4OS2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C20H22N4OS2/c1-3-24(4-2)16-11-9-15(10-12-16)13-21-23-19(25)14-26-20-22-17-7-5-6-8-18(17)27-20/h5-13H,3-4,14H2,1-2H3,(H,23,25)/b21-13+
InChIKey
OGCPTZKUWWZJLD-FYJGNVAPSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1235 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13078 189.3
[M+Na]+ 421.11272 200.1
[M+NH4]+ 416.15732 197.4
[M+K]+ 437.08666 190.1
[M-H]- 397.11622 195.3
[M+Na-2H]- 419.09817 197.0
[M]+ 398.12295 193.4
[M]- 398.12405 193.4
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.