CID 380306

8-(3-(4-fluorobenzoyl)propyl)-3,4-dimethyl-2-oxo-3,8-diaza-1-oxaspiro(4,5)decane hcl

Structural Information

Molecular Formula
C19H25FN2O3
SMILES
CC1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)OC(=O)N1C
InChI
InChI=1S/C19H25FN2O3/c1-14-19(25-18(24)21(14)2)9-12-22(13-10-19)11-3-4-17(23)15-5-7-16(20)8-6-15/h5-8,14H,3-4,9-13H2,1-2H3
InChIKey
NNVJLKDVSMHRPO-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1849 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19218 183.5
[M+Na]+ 371.17412 189.6
[M-H]- 347.17762 188.2
[M+NH4]+ 366.21872 196.5
[M+K]+ 387.14806 186.3
[M+H-H2O]+ 331.18216 173.7
[M+HCOO]- 393.18310 196.3
[M+CH3COO]- 407.19875 212.5
[M+Na-2H]- 369.15957 181.3
[M]+ 348.18435 180.8
[M]- 348.18545 180.8
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.