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]+ 333.233656 182.6
[M+Na]+ 355.215598 183.4
[M-H]- 331.219104 185.9
[M+NH4]+ 350.260203 195.8
[M+K]+ 371.189538 178.5
[M+H-H2O]+ 315.223640 171.5
[M+HCOO]- 377.224581 195.5
[M+CH3COO]- 391.240231 210.5
[M+Na-2H]- 353.201046 183.2
[M]+ 332.22583142 172.5
[M]- 332.22692858 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.