CID 380290

8-(p-fluorobenzoylpropyl)-1-oxo-2-(2-butyl)-4-phenyl-2,4,8-triazaspiro(4.5)decane hcl

Structural Information

Molecular Formula
C27H34FN3O2
SMILES
CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C27H34FN3O2/c1-3-21(2)30-20-31(24-8-5-4-6-9-24)27(26(30)33)15-18-29(19-16-27)17-7-10-25(32)22-11-13-23(28)14-12-22/h4-6,8-9,11-14,21H,3,7,10,15-20H2,1-2H3
InChIKey
JNMJGCYSFIMIPY-UHFFFAOYSA-N
Compound name
3-butan-2-yl-8-[4-(4-fluorophenyl)-4-oxobutyl]-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

451.26352 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.27080 214.1
[M+Na]+ 474.25274 217.3
[M-H]- 450.25624 218.9
[M+NH4]+ 469.29734 221.9
[M+K]+ 490.22668 210.5
[M+H-H2O]+ 434.26078 200.7
[M+HCOO]- 496.26172 223.7
[M+CH3COO]- 510.27737 233.2
[M+Na-2H]- 472.23819 207.9
[M]+ 451.26297 209.1
[M]- 451.26407 209.1
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.