CID 108649

Brn 0560044

Structural Information

Molecular Formula
C18H23FN2O3
SMILES
C1CNC(=O)OC12CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H23FN2O3/c19-15-5-3-14(4-6-15)16(22)2-1-11-21-12-8-18(9-13-21)7-10-20-17(23)24-18/h3-6H,1-2,7-13H2,(H,20,23)
InChIKey
BMTLAPIIHHSIFJ-UHFFFAOYSA-N
Compound name
9-[4-(4-fluorophenyl)-4-oxobutyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16928 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17656 180.7
[M+Na]+ 357.15850 184.1
[M-H]- 333.16200 182.9
[M+NH4]+ 352.20310 190.9
[M+K]+ 373.13244 180.2
[M+H-H2O]+ 317.16654 169.6
[M+HCOO]- 379.16748 190.1
[M+CH3COO]- 393.18313 205.4
[M+Na-2H]- 355.14395 181.6
[M]+ 334.16873 172.7
[M]- 334.16983 172.7
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.