CID 3077292

4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro(4.5)decan-2-one

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CC1(C2(CCN(CC2)CCC3=CC=CC=C3)OC(=O)N1C)O
InChI
InChI=1S/C17H24N2O3/c1-16(21)17(22-15(20)18(16)2)9-12-19(13-10-17)11-8-14-6-4-3-5-7-14/h3-7,21H,8-13H2,1-2H3
InChIKey
CSVUXAAJXDKDJH-UHFFFAOYSA-N
Compound name
4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

304.17868 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 171.7
[M+Na]+ 327.16790 178.5
[M-H]- 303.17140 176.8
[M+NH4]+ 322.21250 188.0
[M+K]+ 343.14184 175.6
[M+H-H2O]+ 287.17594 163.6
[M+HCOO]- 349.17688 185.8
[M+CH3COO]- 363.19253 199.8
[M+Na-2H]- 325.15335 173.9
[M]+ 304.17813 169.0
[M]- 304.17923 169.0
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

patents stripe