CID 16205681

91098-74-7

Structural Information

Molecular Formula
C25H34N4O4
SMILES
CCC(=O)N(C1=CC=C(C=C1)OC)C(C)CN2CCN(CC2)CCC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C25H34N4O4/c1-4-25(30)28(22-9-11-24(33-3)12-10-22)20(2)19-27-17-15-26(16-18-27)14-13-21-5-7-23(8-6-21)29(31)32/h5-12,20H,4,13-19H2,1-3H3
InChIKey
HZWPOSSNNFRLCG-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-N-[1-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.258 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.26528 211.8
[M+Na]+ 477.24722 210.8
[M-H]- 453.25072 218.0
[M+NH4]+ 472.29182 215.8
[M+K]+ 493.22116 203.7
[M+H-H2O]+ 437.25526 203.6
[M+HCOO]- 499.25620 227.6
[M+CH3COO]- 513.27185 234.2
[M+Na-2H]- 475.23267 211.4
[M]+ 454.25745 209.5
[M]- 454.25855 209.5
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.