CID 380262

1,3,8-triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorobenzoyl)propyl)-3-isopropyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C26H32FN3O2
SMILES
CC(C)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C26H32FN3O2/c1-20(2)29-19-30(23-7-4-3-5-8-23)26(25(29)32)14-17-28(18-15-26)16-6-9-24(31)21-10-12-22(27)13-11-21/h3-5,7-8,10-13,20H,6,9,14-19H2,1-2H3
InChIKey
MBRYDMABFFRSOS-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.24786 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.25514 209.9
[M+Na]+ 460.23708 213.6
[M-H]- 436.24058 214.9
[M+NH4]+ 455.28168 218.2
[M+K]+ 476.21102 207.0
[M+H-H2O]+ 420.24512 196.7
[M+HCOO]- 482.24606 219.9
[M+CH3COO]- 496.26171 230.3
[M+Na-2H]- 458.22253 204.2
[M]+ 437.24731 204.6
[M]- 437.24841 204.6
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.