CID 3077324

134070-23-8

Structural Information

Molecular Formula
C22H25FN2O3
SMILES
CC1(C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1C4=CC=CC=C4)O
InChI
InChI=1S/C22H25FN2O3/c1-21(27)22(28-20(26)25(21)19-5-3-2-4-6-19)12-15-24(16-13-22)14-11-17-7-9-18(23)10-8-17/h2-10,27H,11-16H2,1H3
InChIKey
BLOLYYCZPCWDFL-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

384.1849 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19218 192.5
[M+Na]+ 407.17412 199.4
[M-H]- 383.17762 199.4
[M+NH4]+ 402.21872 205.0
[M+K]+ 423.14806 194.5
[M+H-H2O]+ 367.18216 181.2
[M+HCOO]- 429.18310 205.0
[M+CH3COO]- 443.19875 201.0
[M+Na-2H]- 405.15957 192.5
[M]+ 384.18435 188.2
[M]- 384.18545 188.2
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.