CID 14418

Butyrophenone, 4'-fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)-, dihydrochloride

Structural Information

Molecular Formula
C20H29FN2O
SMILES
CN1CCC2(CC1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H29FN2O/c1-22-13-8-20(9-14-22)10-15-23(16-11-20)12-2-3-19(24)17-4-6-18(21)7-5-17/h4-7H,2-3,8-16H2,1H3
InChIKey
PIKASDUGSGWPID-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22638 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23366 186.2
[M+Na]+ 355.21560 196.9
[M+NH4]+ 350.26020 194.7
[M+K]+ 371.18954 186.8
[M-H]- 331.21910 189.0
[M+Na-2H]- 353.20105 192.5
[M]+ 332.22583 188.4
[M]- 332.22693 188.4
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

No patent data available for this compound.