CID 44472

1,3-dioxa-9-azaspiro(5.5)undecane, 5-methyl-9-(3-(p-fluorobenzoyl)propyl)-, hydrochloride

Structural Information

Molecular Formula
C19H26FNO3
SMILES
CC1COCOC12CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H26FNO3/c1-15-13-23-14-24-19(15)8-11-21(12-9-19)10-2-3-18(22)16-4-6-17(20)7-5-16/h4-7,15H,2-3,8-14H2,1H3
InChIKey
JVPFEYLDAMYNKQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(5-methyl-1,3-dioxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18967 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19695 182.3
[M+Na]+ 358.17889 185.5
[M-H]- 334.18239 187.7
[M+NH4]+ 353.22349 193.4
[M+K]+ 374.15283 184.1
[M+H-H2O]+ 318.18693 171.7
[M+HCOO]- 380.18787 193.1
[M+CH3COO]- 394.20352 209.0
[M+Na-2H]- 356.16434 183.6
[M]+ 335.18912 177.2
[M]- 335.19022 177.2
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.