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 193.2
[M+Na]+ 421.18462 193.0
[M-H]- 397.18812 198.4
[M+NH4]+ 416.22922 198.7
[M+K]+ 437.15856 185.2
[M+H-H2O]+ 381.19266 185.7
[M+HCOO]- 443.19360 209.9
[M+CH3COO]- 457.20925 218.1
[M+Na-2H]- 419.17007 196.2
[M]+ 398.19485 188.0
[M]- 398.19595 188.0
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.