CID 3062057

1-piperazineacetamide, n-(2-benzoyl-4-nitrophenyl)-n,4-dimethyl-

Structural Information

Molecular Formula
C21H24N4O4
SMILES
CN1CCN(CC1)CC(=O)N(C)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H24N4O4/c1-22-10-12-24(13-11-22)15-20(26)23(2)19-9-8-17(25(28)29)14-18(19)21(27)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKey
HQDRQOBEIJQDQF-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

396.17975 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.18703 192.7
[M+Na]+ 419.16897 193.9
[M-H]- 395.17247 199.8
[M+NH4]+ 414.21357 199.1
[M+K]+ 435.14291 187.0
[M+H-H2O]+ 379.17701 185.4
[M+HCOO]- 441.17795 210.1
[M+CH3COO]- 455.19360 221.7
[M+Na-2H]- 417.15442 194.3
[M]+ 396.17920 188.4
[M]- 396.18030 188.4
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

patents stripe