CID 24847083

Brn 4599095

Structural Information

Molecular Formula
C26H30FN3O2
SMILES
C=CCN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C26H30FN3O2/c1-2-16-29-20-30(23-7-4-3-5-8-23)26(25(29)32)14-18-28(19-15-26)17-6-9-24(31)21-10-12-22(27)13-11-21/h2-5,7-8,10-13H,1,6,9,14-20H2
InChIKey
YKIVISKPJCKOLP-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-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

435.2322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23948 209.7
[M+Na]+ 458.22142 213.9
[M-H]- 434.22492 214.6
[M+NH4]+ 453.26602 218.0
[M+K]+ 474.19536 206.1
[M+H-H2O]+ 418.22946 196.1
[M+HCOO]- 480.23040 220.8
[M+CH3COO]- 494.24605 228.8
[M+Na-2H]- 456.20687 204.9
[M]+ 435.23165 204.2
[M]- 435.23275 204.2
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.