CID 3077303

134070-11-4

Structural Information

Molecular Formula
C19H27FN2O3
SMILES
CC(C)N1C(=O)OC2(C1(C)O)CCN(CC2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H27FN2O3/c1-14(2)22-17(23)25-19(18(22,3)24)9-12-21(13-10-19)11-8-15-4-6-16(20)7-5-15/h4-7,14,24H,8-13H2,1-3H3
InChIKey
XHOKMAGQRBTZLE-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

350.20056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.207836 183.0
[M+Na]+ 373.189778 189.5
[M-H]- 349.193284 186.8
[M+NH4]+ 368.234383 197.5
[M+K]+ 389.163718 186.4
[M+H-H2O]+ 333.197820 174.3
[M+HCOO]- 395.198761 194.3
[M+CH3COO]- 409.214411 210.6
[M+Na-2H]- 371.175226 181.9
[M]+ 350.20001142 179.8
[M]- 350.20110858 179.8
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

patents stripe