CID 24847092

102504-77-8

Structural Information

Molecular Formula
C23H26FN3O3
SMILES
CN1CN(C2(C1=O)CCN(CC2)CC3COC4=C(O3)C=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C23H26FN3O3/c1-25-16-27(18-5-3-2-4-6-18)23(22(25)28)9-11-26(12-10-23)14-19-15-29-20-8-7-17(24)13-21(20)30-19/h2-8,13,19H,9-12,14-16H2,1H3
InChIKey
FWHDPVMRLMLVCS-UHFFFAOYSA-N
Compound name
8-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-3-methyl-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

411.19583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.20311 202.2
[M+Na]+ 434.18505 208.2
[M-H]- 410.18855 209.5
[M+NH4]+ 429.22965 210.0
[M+K]+ 450.15899 203.9
[M+H-H2O]+ 394.19309 188.7
[M+HCOO]- 456.19403 209.9
[M+CH3COO]- 470.20968 209.1
[M+Na-2H]- 432.17050 200.1
[M]+ 411.19528 196.6
[M]- 411.19638 196.6
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.