CID 3077320

134070-21-6

Structural Information

Molecular Formula
C27H34F2N2O3
SMILES
CC(C)N1C(=O)OC2(C1(C)O)CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C27H34F2N2O3/c1-19(2)31-25(32)34-27(26(31,3)33)14-17-30(18-15-27)16-4-5-24(20-6-10-22(28)11-7-20)21-8-12-23(29)13-9-21/h6-13,19,24,33H,4-5,14-18H2,1-3H3
InChIKey
ZAXOUKDADZHJGT-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-4-methyl-3-propan-2-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

472.25375 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.26103 218.4
[M+Na]+ 495.24297 227.7
[M+NH4]+ 490.28757 225.1
[M+K]+ 511.21691 219.5
[M-H]- 471.24647 220.9
[M+Na-2H]- 493.22842 223.3
[M]+ 472.25320 220.5
[M]- 472.25430 220.5
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