CID 3076472

Brn 4239799

Structural Information

Molecular Formula
C18H20N2O4S2
SMILES
CC1=CC=C(O1)[C@@H]2N(C(=O)CS2)CCN3[C@H](SCC3=O)C4=CC=C(O4)C
InChI
InChI=1S/C18H20N2O4S2/c1-11-3-5-13(23-11)17-19(15(21)9-25-17)7-8-20-16(22)10-26-18(20)14-6-4-12(2)24-14/h3-6,17-18H,7-10H2,1-2H3/t17-,18-/m1/s1
InChIKey
SBOVMLPZYDERBM-QZTJIDSGSA-N
Compound name
(2R)-2-(5-methylfuran-2-yl)-3-[2-[(2R)-2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.08646 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09374 190.9
[M+Na]+ 415.07568 202.6
[M-H]- 391.07918 205.4
[M+NH4]+ 410.12028 206.5
[M+K]+ 431.04962 201.4
[M+H-H2O]+ 375.08372 189.3
[M+HCOO]- 437.08466 204.1
[M+CH3COO]- 451.10031 203.3
[M+Na-2H]- 413.06113 181.2
[M]+ 392.08591 199.0
[M]- 392.08701 199.0
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.