CID 3077312

134070-16-9

Structural Information

Molecular Formula
C34H34F2N2O3
SMILES
CC1(C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1C5=CC=CC6=CC=CC=C65)O
InChI
InChI=1S/C34H34F2N2O3/c1-33(40)34(41-32(39)38(33)31-10-4-7-24-6-2-3-8-30(24)31)19-22-37(23-20-34)21-5-9-29(25-11-15-27(35)16-12-25)26-13-17-28(36)18-14-26/h2-4,6-8,10-18,29,40H,5,9,19-23H2,1H3
InChIKey
ZXDZJRRZWWFAHI-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-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

6
Patents

556.2537 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.26098 240.4
[M+Na]+ 579.24292 253.4
[M+NH4]+ 574.28752 248.2
[M+K]+ 595.21686 242.1
[M-H]- 555.24642 246.8
[M+Na-2H]- 577.22837 248.0
[M]+ 556.25315 244.3
[M]- 556.25425 244.3
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