CID 331266

70218-63-2

Structural Information

Molecular Formula
C23H27N3O3S
SMILES
C1C2CC3CC1CC(C2)(C3)C4N(C(=O)CS4)N5CC(=O)N(CC5=O)C6=CC=CC=C6
InChI
InChI=1S/C23H27N3O3S/c27-19-13-25(20(28)12-24(19)18-4-2-1-3-5-18)26-21(29)14-30-22(26)23-9-15-6-16(10-23)8-17(7-15)11-23/h1-5,15-17,22H,6-14H2
InChIKey
ULPJAHPQOCMEHE-UHFFFAOYSA-N
Compound name
1-[2-(1-adamantyl)-4-oxo-1,3-thiazolidin-3-yl]-4-phenylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1773 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.18458 189.0
[M+Na]+ 448.16652 189.7
[M-H]- 424.17002 187.6
[M+NH4]+ 443.21112 203.2
[M+K]+ 464.14046 184.9
[M+H-H2O]+ 408.17456 178.3
[M+HCOO]- 470.17550 183.6
[M+CH3COO]- 484.19115 192.9
[M+Na-2H]- 446.15197 190.5
[M]+ 425.17675 187.2
[M]- 425.17785 187.2
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.