CID 24209011

853330-46-8

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CC1CCCCN1C(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H22N2O4/c1-14-5-2-3-12-20(14)19(22)11-9-17-8-10-18(25-17)15-6-4-7-16(13-15)21(23)24/h4,6-8,10,13-14H,2-3,5,9,11-12H2,1H3
InChIKey
AJJYHMXMDOUONT-UHFFFAOYSA-N
Compound name
1-(2-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]+ 343.165236 182.8
[M+Na]+ 365.147178 186.0
[M-H]- 341.150684 191.1
[M+NH4]+ 360.191783 193.6
[M+K]+ 381.121118 179.3
[M+H-H2O]+ 325.155220 178.1
[M+HCOO]- 387.156161 201.5
[M+CH3COO]- 401.171811 204.9
[M+Na-2H]- 363.132626 184.1
[M]+ 342.15741142 179.7
[M]- 342.15850858 179.7
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.