CID 1631094

N-{(5e)-5-[4-(diethylamino)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-2-methylbenzamide

Structural Information

Molecular Formula
C22H23N3O2S2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3C
InChI
InChI=1S/C22H23N3O2S2/c1-4-24(5-2)17-12-10-16(11-13-17)14-19-21(27)25(22(28)29-19)23-20(26)18-9-7-6-8-15(18)3/h6-14H,4-5H2,1-3H3,(H,23,26)/b19-14+
InChIKey
VSWXYNCWQJKYMG-XMHGGMMESA-N
Compound name
N-[(5E)-5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.12317 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.13045 201.7
[M+Na]+ 448.11239 207.9
[M-H]- 424.11589 210.8
[M+NH4]+ 443.15699 213.0
[M+K]+ 464.08633 200.5
[M+H-H2O]+ 408.12043 193.1
[M+HCOO]- 470.12137 213.3
[M+CH3COO]- 484.13702 231.9
[M+Na-2H]- 446.09784 196.5
[M]+ 425.12262 204.0
[M]- 425.12372 204.0
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.