CID 108297

Brn 0565213

Structural Information

Molecular Formula
C19H25FN2O3
SMILES
CC1CC2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)OC(=O)N1
InChI
InChI=1S/C19H25FN2O3/c1-14-13-19(25-18(24)21-14)8-11-22(12-9-19)10-2-3-17(23)15-4-6-16(20)7-5-15/h4-7,14H,2-3,8-13H2,1H3,(H,21,24)
InChIKey
LTMRSLONLZIYSL-UHFFFAOYSA-N
Compound name
9-[4-(4-fluorophenyl)-4-oxobutyl]-4-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1849 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19218 185.2
[M+Na]+ 371.17412 189.1
[M-H]- 347.17762 187.6
[M+NH4]+ 366.21872 195.2
[M+K]+ 387.14806 185.1
[M+H-H2O]+ 331.18216 174.2
[M+HCOO]- 393.18310 194.2
[M+CH3COO]- 407.19875 209.7
[M+Na-2H]- 369.15957 184.9
[M]+ 348.18435 178.0
[M]- 348.18545 178.0
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.