CID 3039650

50910-25-3

Structural Information

Molecular Formula
C20H24N2O3
SMILES
C1CCN(CC1)CCC(C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H24N2O3/c23-20(12-15-21-13-2-1-3-14-21)18-6-4-16(5-7-18)17-8-10-19(11-9-17)22(24)25/h4-11,20,23H,1-3,12-15H2
InChIKey
DHPCGEFEGRNQCO-UHFFFAOYSA-N
Compound name
1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 181.4
[M+Na]+ 363.167898 182.5
[M-H]- 339.171404 186.8
[M+NH4]+ 358.212503 190.6
[M+K]+ 379.141838 173.7
[M+H-H2O]+ 323.175940 175.6
[M+HCOO]- 385.176881 198.0
[M+CH3COO]- 399.192531 203.7
[M+Na-2H]- 361.153346 184.1
[M]+ 340.17813142 174.5
[M]- 340.17922858 174.5
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.