CID 24844472

103181-78-8

Structural Information

Molecular Formula
C19H20N2O4S2
SMILES
COC1=CC=CC=C1OC[C@H]2N(CCS2)C(=O)COC(=S)C3=CN=CC=C3
InChI
InChI=1S/C19H20N2O4S2/c1-23-15-6-2-3-7-16(15)24-13-18-21(9-10-27-18)17(22)12-25-19(26)14-5-4-8-20-11-14/h2-8,11,18H,9-10,12-13H2,1H3/t18-/m0/s1
InChIKey
VZWGUYUBUKJXEI-SFHVURJKSA-N
Compound name
O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] pyridine-3-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.08646 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.09374 189.0
[M+Na]+ 427.07568 199.4
[M+NH4]+ 422.12028 195.3
[M+K]+ 443.04962 191.6
[M-H]- 403.07918 192.3
[M+Na-2H]- 425.06113 194.8
[M]+ 404.08591 192.1
[M]- 404.08701 192.1
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.