CID 3076475

Brn 4239697

Structural Information

Molecular Formula
C18H18N4O2S2
SMILES
C1C(=O)N([C@H](S1)C2=CC=CC=N2)CCN3[C@H](SCC3=O)C4=CC=CC=N4
InChI
InChI=1S/C18H18N4O2S2/c23-15-11-25-17(13-5-1-3-7-19-13)21(15)9-10-22-16(24)12-26-18(22)14-6-2-4-8-20-14/h1-8,17-18H,9-12H2/t17-,18-/m1/s1
InChIKey
MFVGYQUBEXCALL-QZTJIDSGSA-N
Compound name
(2R)-3-[2-[(2R)-4-oxo-2-pyridin-2-yl-1,3-thiazolidin-3-yl]ethyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.08713 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09441 185.6
[M+Na]+ 409.07635 197.7
[M+NH4]+ 404.12095 192.7
[M+K]+ 425.05029 190.5
[M-H]- 385.07985 190.5
[M+Na-2H]- 407.06180 192.0
[M]+ 386.08658 189.4
[M]- 386.08768 189.4
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.