CID 73357375

1375303-54-0

Structural Information

Molecular Formula
C19H25FN2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)C2C3=CC=C(C=C3)F
InChI
InChI=1S/C19H25FN2O3/c1-18(2,3)25-17(24)22-10-8-19(9-11-22)12-21-16(23)15(19)13-4-6-14(20)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,21,23)
InChIKey
UULRACRSMAPWSP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-fluorophenyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
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 184.7
[M+Na]+ 371.17412 189.9
[M-H]- 347.17762 187.5
[M+NH4]+ 366.21872 198.4
[M+K]+ 387.14806 185.5
[M+H-H2O]+ 331.18216 175.9
[M+HCOO]- 393.18310 195.5
[M+CH3COO]- 407.19875 207.2
[M+Na-2H]- 369.15957 183.5
[M]+ 348.18435 178.5
[M]- 348.18545 178.5
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.