CID 3088707

119017-78-6

Structural Information

Molecular Formula
C21H26N4O4
SMILES
C1CN(CCN1CC(=O)N(CCCO)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C21H26N4O4/c26-16-6-11-24(19-9-4-5-10-20(19)25(28)29)21(27)17-22-12-14-23(15-13-22)18-7-2-1-3-8-18/h1-5,7-10,26H,6,11-17H2
InChIKey
CYWQLBJZKVTDEY-UHFFFAOYSA-N
Compound name
N-(3-hydroxypropyl)-N-(2-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20268 192.6
[M+Na]+ 421.18462 203.9
[M+NH4]+ 416.22922 197.8
[M+K]+ 437.15856 200.4
[M-H]- 397.18812 198.1
[M+Na-2H]- 419.17007 199.5
[M]+ 398.19485 195.3
[M]- 398.19595 195.3
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

No patent data available for this compound.