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 191.9
[M+Na]+ 421.11272 198.9
[M-H]- 397.11622 200.2
[M+NH4]+ 416.15732 205.7
[M+K]+ 437.08666 192.7
[M+H-H2O]+ 381.12076 183.0
[M+HCOO]- 443.12170 208.7
[M+CH3COO]- 457.13735 229.9
[M+Na-2H]- 419.09817 194.1
[M]+ 398.12295 198.8
[M]- 398.12405 198.8
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.