CID 297016

8-(7-fluoroheptyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane

Structural Information

Molecular Formula
C21H32FN3O
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCCCCCCF)C3=CC=CC=C3
InChI
InChI=1S/C21H32FN3O/c1-23-18-25(19-10-6-5-7-11-19)21(20(23)26)12-16-24(17-13-21)15-9-4-2-3-8-14-22/h5-7,10-11H,2-4,8-9,12-18H2,1H3
InChIKey
OLCJABOSXQSHFP-UHFFFAOYSA-N
Compound name
8-(7-fluoroheptyl)-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

361.25293 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.26021 191.9
[M+Na]+ 384.24215 196.2
[M-H]- 360.24565 193.5
[M+NH4]+ 379.28675 204.2
[M+K]+ 400.21609 190.1
[M+H-H2O]+ 344.25019 179.9
[M+HCOO]- 406.25113 204.1
[M+CH3COO]- 420.26678 215.4
[M+Na-2H]- 382.22760 189.3
[M]+ 361.25238 187.6
[M]- 361.25348 187.6
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.