CID 9798234

Z-321

Structural Information

Molecular Formula
C19H24N2O2S
SMILES
C1CCN(C1)C(=O)[C@@H]2CSCN2C(=O)CC3CC4=CC=CC=C4C3
InChI
InChI=1S/C19H24N2O2S/c22-18(11-14-9-15-5-1-2-6-16(15)10-14)21-13-24-12-17(21)19(23)20-7-3-4-8-20/h1-2,5-6,14,17H,3-4,7-13H2/t17-/m0/s1
InChIKey
GDOVFSONSLOIAK-KRWDZBQOSA-N
Compound name
2-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

25
Patents

344.15585 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16313 186.5
[M+Na]+ 367.14507 190.9
[M-H]- 343.14857 194.4
[M+NH4]+ 362.18967 203.7
[M+K]+ 383.11901 187.8
[M+H-H2O]+ 327.15311 179.9
[M+HCOO]- 389.15405 197.5
[M+CH3COO]- 403.16970 195.7
[M+Na-2H]- 365.13052 177.9
[M]+ 344.15530 184.3
[M]- 344.15640 184.3
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