CID 380349

Brn 0597625

Structural Information

Molecular Formula
C28H34FN3O3
SMILES
C=CCN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C28H34FN3O3/c1-2-16-31-22-32(25-7-4-3-5-8-25)27(26(31)33)14-18-30(19-15-27)17-6-13-28(34-20-21-35-28)23-9-11-24(29)12-10-23/h2-5,7-12H,1,6,13-22H2
InChIKey
PHMKECRSIVMICN-UHFFFAOYSA-N
Compound name
8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-3-prop-2-enyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.25842 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.26570 219.9
[M+Na]+ 502.24764 230.5
[M+NH4]+ 497.29224 227.5
[M+K]+ 518.22158 222.8
[M-H]- 478.25114 226.6
[M+Na-2H]- 500.23309 226.2
[M]+ 479.25787 223.4
[M]- 479.25897 223.4
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.