CID 3065412

3-(((2-aminoethyl)amino)-2-naphthylmethylene)-n-phenyl-4-thiooxalacetimide hydrochloride

Structural Information

Molecular Formula
C23H19N3O2S
SMILES
C1=CC=C(C=C1)N2C(=O)C(=O)/C(=C(/C3=CC4=CC=CC=C4C=C3)\NCCN)/C2=S
InChI
InChI=1S/C23H19N3O2S/c24-12-13-25-20(17-11-10-15-6-4-5-7-16(15)14-17)19-21(27)22(28)26(23(19)29)18-8-2-1-3-9-18/h1-11,14,25H,12-13,24H2/b20-19+
InChIKey
FYTYUVOPEZXNPE-FMQUCBEESA-N
Compound name
(4E)-4-[(2-aminoethylamino)-naphthalen-2-ylmethylidene]-1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1198 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.12708 195.0
[M+Na]+ 424.10902 207.1
[M+NH4]+ 419.15362 202.0
[M+K]+ 440.08296 198.9
[M-H]- 400.11252 201.1
[M+Na-2H]- 422.09447 201.7
[M]+ 401.11925 198.7
[M]- 401.12035 198.7
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.