CID 9864268

101931-00-4

Structural Information

Molecular Formula
C19H20N2O4S
SMILES
CCC1=CN=C(C=C1)C(COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)O
InChI
InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)
InChIKey
RMTFRGFLVHAYCI-UHFFFAOYSA-N
Compound name
5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

59
Patents

372.11438 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.121656 186.6
[M+Na]+ 395.103598 193.0
[M-H]- 371.107104 191.2
[M+NH4]+ 390.148203 196.8
[M+K]+ 411.077538 187.0
[M+H-H2O]+ 355.111640 178.2
[M+HCOO]- 417.112581 198.3
[M+CH3COO]- 431.128231 209.9
[M+Na-2H]- 393.089046 183.0
[M]+ 372.11383142 187.9
[M]- 372.11492858 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe