CID 3077315

134070-18-1

Structural Information

Molecular Formula
C26H27FN2O3
SMILES
CC1(C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1C4=CC=CC5=CC=CC=C54)O
InChI
InChI=1S/C26H27FN2O3/c1-25(31)26(14-17-28(18-15-26)16-13-19-9-11-21(27)12-10-19)32-24(30)29(25)23-8-4-6-20-5-2-3-7-22(20)23/h2-12,31H,13-18H2,1H3
InChIKey
MVCYZWCRMFRJFV-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-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

434.20056 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20784 207.6
[M+Na]+ 457.18978 214.9
[M-H]- 433.19328 215.2
[M+NH4]+ 452.23438 218.8
[M+K]+ 473.16372 208.6
[M+H-H2O]+ 417.19782 194.7
[M+HCOO]- 479.19876 218.1
[M+CH3COO]- 493.21441 215.0
[M+Na-2H]- 455.17523 207.0
[M]+ 434.20001 203.5
[M]- 434.20111 203.5
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