CID 3042293

59401-30-8

Structural Information

Molecular Formula
C20H24N2O3
SMILES
C1CCN(CC1)CCC(C2=CC(=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H24N2O3/c23-20(11-14-21-12-5-2-6-13-21)17-9-10-18(19(15-17)22(24)25)16-7-3-1-4-8-16/h1,3-4,7-10,15,20,23H,2,5-6,11-14H2
InChIKey
RFIYVWDYUGJCLV-UHFFFAOYSA-N
Compound name
1-(3-nitro-4-phenylphenyl)-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]+ 341.18596 181.4
[M+Na]+ 363.16790 182.5
[M-H]- 339.17140 186.8
[M+NH4]+ 358.21250 190.6
[M+K]+ 379.14184 173.7
[M+H-H2O]+ 323.17594 175.6
[M+HCOO]- 385.17688 198.0
[M+CH3COO]- 399.19253 203.7
[M+Na-2H]- 361.15335 184.1
[M]+ 340.17813 174.5
[M]- 340.17923 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.