CID 24209006

853330-16-2

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CC1CCN(CC1)C(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H22N2O4/c1-14-9-11-20(12-10-14)19(22)8-6-17-5-7-18(25-17)15-3-2-4-16(13-15)21(23)24/h2-5,7,13-14H,6,8-12H2,1H3
InChIKey
HGYYPZZXHBUCOT-UHFFFAOYSA-N
Compound name
1-(4-methylpiperidin-1-yl)-3-[5-(3-nitrophenyl)furan-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 180.3
[M+Na]+ 365.14718 192.7
[M+NH4]+ 360.19178 187.0
[M+K]+ 381.12112 190.8
[M-H]- 341.15068 187.1
[M+Na-2H]- 363.13263 186.0
[M]+ 342.15741 183.7
[M]- 342.15851 183.7
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.