CID 6154

Brn 1350881

Structural Information

Molecular Formula
C24H36FNO
SMILES
CC(C)(C)C1CCC2(CC1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H36FNO/c1-23(2,3)20-10-12-24(13-11-20)14-17-26(18-15-24)16-4-5-22(27)19-6-8-21(25)9-7-19/h6-9,20H,4-5,10-18H2,1-3H3
InChIKey
NXDSAPCXWPTFDB-UHFFFAOYSA-N
Compound name
4-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2781 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.28538 196.7
[M+Na]+ 396.26732 198.1
[M-H]- 372.27082 200.1
[M+NH4]+ 391.31192 209.1
[M+K]+ 412.24126 192.9
[M+H-H2O]+ 356.27536 186.2
[M+HCOO]- 418.27630 205.6
[M+CH3COO]- 432.29195 219.0
[M+Na-2H]- 394.25277 194.9
[M]+ 373.27755 188.6
[M]- 373.27865 188.6
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.