CID 3077294

134070-05-6

Structural Information

Molecular Formula
C23H27FN2O3
SMILES
CC1(C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1CC4=CC=CC=C4)O
InChI
InChI=1S/C23H27FN2O3/c1-22(28)23(29-21(27)26(22)17-19-5-3-2-4-6-19)12-15-25(16-13-23)14-11-18-7-9-20(24)10-8-18/h2-10,28H,11-17H2,1H3
InChIKey
OFKJXESQNRAOAX-UHFFFAOYSA-N
Compound name
3-benzyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

398.20056 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20784 196.8
[M+Na]+ 421.18978 203.1
[M-H]- 397.19328 203.4
[M+NH4]+ 416.23438 208.6
[M+K]+ 437.16372 198.1
[M+H-H2O]+ 381.19782 185.3
[M+HCOO]- 443.19876 208.9
[M+CH3COO]- 457.21441 204.8
[M+Na-2H]- 419.17523 196.2
[M]+ 398.20001 192.7
[M]- 398.20111 192.7
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