CID 4460386

882080-97-9

Structural Information

Molecular Formula
C22H28N4O3
SMILES
CCC(C)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H28N4O3/c1-3-17(2)18-4-6-19(7-5-18)23-22(27)16-24-12-14-25(15-13-24)20-8-10-21(11-9-20)26(28)29/h4-11,17H,3,12-16H2,1-2H3,(H,23,27)
InChIKey
ZRQZRNJBLVSJCK-UHFFFAOYSA-N
Compound name
N-(4-butan-2-ylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.21616 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.223436 195.8
[M+Na]+ 419.205378 196.3
[M-H]- 395.208884 201.2
[M+NH4]+ 414.249983 201.8
[M+K]+ 435.179318 187.7
[M+H-H2O]+ 379.213420 188.5
[M+HCOO]- 441.214361 212.0
[M+CH3COO]- 455.230011 220.1
[M+Na-2H]- 417.190826 197.3
[M]+ 396.21561142 190.0
[M]- 396.21670858 190.0
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.