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]+ 397.22344 195.8
[M+Na]+ 419.20538 196.3
[M-H]- 395.20888 201.2
[M+NH4]+ 414.24998 201.8
[M+K]+ 435.17932 187.7
[M+H-H2O]+ 379.21342 188.5
[M+HCOO]- 441.21436 212.0
[M+CH3COO]- 455.23001 220.1
[M+Na-2H]- 417.19083 197.3
[M]+ 396.21561 190.0
[M]- 396.21671 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.