CID 4078953

N-(4-bromo-3-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C19H21BrN4O3
SMILES
CC1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br
InChI
InChI=1S/C19H21BrN4O3/c1-14-12-15(2-7-18(14)20)21-19(25)13-22-8-10-23(11-9-22)16-3-5-17(6-4-16)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKey
HGVBUMXVEKVRAV-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.0797 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.08698 193.1
[M+Na]+ 455.06892 198.5
[M-H]- 431.07242 201.3
[M+NH4]+ 450.11352 202.2
[M+K]+ 471.04286 182.3
[M+H-H2O]+ 415.07696 192.3
[M+HCOO]- 477.07790 208.9
[M+CH3COO]- 491.09355 219.4
[M+Na-2H]- 453.05437 197.1
[M]+ 432.07915 206.8
[M]- 432.08025 206.8
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.