CID 9570825

3-azaspiro(5.5)undecane, 3-(4-(p-fluorophenyl)-4-oxobutyl)-, oxime, hydrochloride

Structural Information

Molecular Formula
C20H29FN2O
SMILES
C1CCC2(CC1)CCN(CC2)CCC/C(=N/O)/C3=CC=C(C=C3)F
InChI
InChI=1S/C20H29FN2O/c21-18-8-6-17(7-9-18)19(22-24)5-4-14-23-15-12-20(13-16-23)10-2-1-3-11-20/h6-9,24H,1-5,10-16H2/b22-19-
InChIKey
RYJAUUFAHKRQLL-QOCHGBHMSA-N
Compound name
(NZ)-N-[4-(3-azaspiro[5.5]undecan-3-yl)-1-(4-fluorophenyl)butylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22638 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.23366 182.6
[M+Na]+ 355.21560 183.4
[M-H]- 331.21910 185.9
[M+NH4]+ 350.26020 195.8
[M+K]+ 371.18954 178.5
[M+H-H2O]+ 315.22364 171.5
[M+HCOO]- 377.22458 195.5
[M+CH3COO]- 391.24023 210.5
[M+Na-2H]- 353.20105 183.2
[M]+ 332.22583 172.5
[M]- 332.22693 172.5
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.