CID 3054463

2-propanol, 1-((2-(o-nitroanilino)ethyl)amino)-3-phenoxy-, monohydrochloride

Structural Information

Molecular Formula
C17H21N3O4
SMILES
C1=CC=C(C=C1)OCC(CNCCNC2=CC=CC=C2[N+](=O)[O-])O
InChI
InChI=1S/C17H21N3O4/c21-14(13-24-15-6-2-1-3-7-15)12-18-10-11-19-16-8-4-5-9-17(16)20(22)23/h1-9,14,18-19,21H,10-13H2
InChIKey
XCSAWZBGJULQOW-UHFFFAOYSA-N
Compound name
1-[2-(2-nitroanilino)ethylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

331.1532 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 176.7
[M+Na]+ 354.14242 187.4
[M+NH4]+ 349.18702 182.8
[M+K]+ 370.11636 183.6
[M-H]- 330.14592 181.8
[M+Na-2H]- 352.12787 183.6
[M]+ 331.15265 179.3
[M]- 331.15375 179.3
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

patents stripe