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 188.0
[M+Na]+ 409.07635 197.2
[M-H]- 385.07985 196.1
[M+NH4]+ 404.12095 198.9
[M+K]+ 425.05029 190.7
[M+H-H2O]+ 369.08439 179.9
[M+HCOO]- 431.08533 196.2
[M+CH3COO]- 445.10098 197.2
[M+Na-2H]- 407.06180 181.8
[M]+ 386.08658 188.6
[M]- 386.08768 188.6
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.