CID 127372

99599-78-7

Structural Information

Molecular Formula
C21H28ClN3O4
SMILES
CC1(CC2(C3=C(O1)C=CC(=C3)Cl)C(=O)N(C(=O)N2)CCCN4CCC(CC4)O)C
InChI
InChI=1S/C21H28ClN3O4/c1-20(2)13-21(16-12-14(22)4-5-17(16)29-20)18(27)25(19(28)23-21)9-3-8-24-10-6-15(26)7-11-24/h4-5,12,15,26H,3,6-11,13H2,1-2H3,(H,23,28)
InChIKey
VDDQRGRMFUGJDD-UHFFFAOYSA-N
Compound name
6-chloro-3'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethylspiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

421.17682 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18410 199.4
[M+Na]+ 444.16604 210.2
[M+NH4]+ 439.21064 207.6
[M+K]+ 460.13998 202.3
[M-H]- 420.16954 202.0
[M+Na-2H]- 442.15149 202.6
[M]+ 421.17627 201.9
[M]- 421.17737 201.9
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