CID 154005

Drf-2189

Structural Information

Molecular Formula
C20H18N2O3S
SMILES
C1=CC=C2C(=C1)C=CN2CCOC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
InChI
InChI=1S/C20H18N2O3S/c23-19-18(26-20(24)21-19)13-14-5-7-16(8-6-14)25-12-11-22-10-9-15-3-1-2-4-17(15)22/h1-10,18H,11-13H2,(H,21,23,24)
InChIKey
PCAZCAZVHLGDBA-UHFFFAOYSA-N
Compound name
5-[[4-(2-indol-1-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

981
Patents

366.10382 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11110 185.7
[M+Na]+ 389.09304 195.4
[M-H]- 365.09654 193.7
[M+NH4]+ 384.13764 200.2
[M+K]+ 405.06698 188.8
[M+H-H2O]+ 349.10108 178.2
[M+HCOO]- 411.10202 201.8
[M+CH3COO]- 425.11767 196.4
[M+Na-2H]- 387.07849 183.7
[M]+ 366.10327 189.8
[M]- 366.10437 189.8
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