CID 380348

54079-70-8

Structural Information

Molecular Formula
C28H38FN3O3
SMILES
CCOC(CCCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)(C4=CC=C(C=C4)F)OCC
InChI
InChI=1S/C28H38FN3O3/c1-4-34-28(35-5-2,23-12-14-24(29)15-13-23)16-9-19-31-20-17-27(18-21-31)26(33)30(3)22-32(27)25-10-7-6-8-11-25/h6-8,10-15H,4-5,9,16-22H2,1-3H3
InChIKey
FJBKNVOIDNHJQL-UHFFFAOYSA-N
Compound name
8-[4,4-diethoxy-4-(4-fluorophenyl)butyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.28973 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.29701 223.2
[M+Na]+ 506.27895 226.3
[M-H]- 482.28245 227.9
[M+NH4]+ 501.32355 229.8
[M+K]+ 522.25289 220.2
[M+H-H2O]+ 466.28699 209.6
[M+HCOO]- 528.28793 232.7
[M+CH3COO]- 542.30358 237.6
[M+Na-2H]- 504.26440 219.9
[M]+ 483.28918 221.2
[M]- 483.29028 221.2
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