CID 380345

54080-20-5

Structural Information

Molecular Formula
C29H38FN3O3
SMILES
CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C29H38FN3O3/c1-3-23(2)32-22-33(26-8-5-4-6-9-26)28(27(32)34)15-18-31(19-16-28)17-7-14-29(35-20-21-36-29)24-10-12-25(30)13-11-24/h4-6,8-13,23H,3,7,14-22H2,1-2H3
InChIKey
HAFZPHBBIIOXNG-UHFFFAOYSA-N
Compound name
3-butan-2-yl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.28973 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.29701 223.8
[M+Na]+ 518.27895 233.8
[M+NH4]+ 513.32355 231.4
[M+K]+ 534.25289 226.8
[M-H]- 494.28245 230.6
[M+Na-2H]- 516.26440 229.8
[M]+ 495.28918 227.2
[M]- 495.29028 227.2
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.