CID 3077274

1-oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(2-(4-fluorophenyl)ethyl)-4-methylene-3-(1-naphthalenyl)-

Structural Information

Molecular Formula
C26H25FN2O2
SMILES
C=C1C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H25FN2O2/c1-19-26(14-17-28(18-15-26)16-13-20-9-11-22(27)12-10-20)31-25(30)29(19)24-8-4-6-21-5-2-3-7-23(21)24/h2-12H,1,13-18H2
InChIKey
UNRFSKMSKBUNJJ-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

416.19 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.19728 204.7
[M+Na]+ 439.17922 211.6
[M-H]- 415.18272 213.1
[M+NH4]+ 434.22382 215.1
[M+K]+ 455.15316 204.3
[M+H-H2O]+ 399.18726 191.5
[M+HCOO]- 461.18820 216.6
[M+CH3COO]- 475.20385 212.3
[M+Na-2H]- 437.16467 202.8
[M]+ 416.18945 199.6
[M]- 416.19055 199.6
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