CID 3049131

64511-55-3

Structural Information

Molecular Formula
C19H23N3O4
SMILES
C1CN(CCN1CC(COC2=CC=CC=C2[N+](=O)[O-])O)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O4/c23-17(15-26-19-9-5-4-8-18(19)22(24)25)14-20-10-12-21(13-11-20)16-6-2-1-3-7-16/h1-9,17,23H,10-15H2
InChIKey
XNYIYLZJLLDUHG-UHFFFAOYSA-N
Compound name
1-(2-nitrophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.16885 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 183.2
[M+Na]+ 380.15807 184.4
[M-H]- 356.16157 187.4
[M+NH4]+ 375.20267 190.2
[M+K]+ 396.13201 176.2
[M+H-H2O]+ 340.16611 176.3
[M+HCOO]- 402.16705 198.9
[M+CH3COO]- 416.18270 205.5
[M+Na-2H]- 378.14352 187.1
[M]+ 357.16830 177.6
[M]- 357.16940 177.6
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.