CID 2899822

64511-26-8

Structural Information

Molecular Formula
C19H23N3O4
SMILES
C1CN(CCN1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O4/c23-18(15-26-19-8-6-17(7-9-19)22(24)25)14-20-10-12-21(13-11-20)16-4-2-1-3-5-16/h1-9,18,23H,10-15H2
InChIKey
YUCVJMDCNFAFMN-UHFFFAOYSA-N
Compound name
1-(4-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]+ 358.176126 183.2
[M+Na]+ 380.158068 184.4
[M-H]- 356.161574 187.4
[M+NH4]+ 375.202673 190.2
[M+K]+ 396.132008 176.2
[M+H-H2O]+ 340.166110 176.3
[M+HCOO]- 402.167051 198.9
[M+CH3COO]- 416.182701 205.5
[M+Na-2H]- 378.143516 187.1
[M]+ 357.16830142 177.6
[M]- 357.16939858 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.