CID 3077308

134070-14-7

Structural Information

Molecular Formula
C19H27FN2O3
SMILES
CCCN1C(=O)OC2(C1(C)O)CCN(CC2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H27FN2O3/c1-3-11-22-17(23)25-19(18(22,2)24)9-13-21(14-10-19)12-8-15-4-6-16(20)7-5-15/h4-7,24H,3,8-14H2,1-2H3
InChIKey
LCZRHNUWROXOTJ-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

350.20056 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20784 183.1
[M+Na]+ 373.18978 189.9
[M-H]- 349.19328 186.8
[M+NH4]+ 368.23438 197.7
[M+K]+ 389.16372 186.2
[M+H-H2O]+ 333.19782 174.0
[M+HCOO]- 395.19876 195.4
[M+CH3COO]- 409.21441 209.6
[M+Na-2H]- 371.17523 183.1
[M]+ 350.20001 180.4
[M]- 350.20111 180.4
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

patents stripe