CID 6366668

Brn 5651194

Structural Information

Molecular Formula
C22H21N3O3S2
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)NCN3C(=O)/C(=C\C4=CC=CC=C4)/SC3=S
InChI
InChI=1S/C22H21N3O3S2/c26-20(24-10-12-28-13-11-24)17-6-8-18(9-7-17)23-15-25-21(27)19(30-22(25)29)14-16-4-2-1-3-5-16/h1-9,14,23H,10-13,15H2/b19-14+
InChIKey
IXDBLBHDDUGTBX-XMHGGMMESA-N
Compound name
(5E)-5-benzylidene-3-[[4-(morpholine-4-carbonyl)anilino]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.10245 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.10973 202.4
[M+Na]+ 462.09167 207.6
[M-H]- 438.09517 211.8
[M+NH4]+ 457.13627 209.5
[M+K]+ 478.06561 200.7
[M+H-H2O]+ 422.09971 193.8
[M+HCOO]- 484.10065 208.9
[M+CH3COO]- 498.11630 209.5
[M+Na-2H]- 460.07712 198.0
[M]+ 439.10190 199.7
[M]- 439.10300 199.7
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.