CID 4403315

N-(2-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C18H19BrN4O3
SMILES
C1CN(CCN1CC(=O)NC2=CC=CC=C2Br)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H19BrN4O3/c19-16-3-1-2-4-17(16)20-18(24)13-21-9-11-22(12-10-21)14-5-7-15(8-6-14)23(25)26/h1-8H,9-13H2,(H,20,24)
InChIKey
ODKWPKQRTXSSIY-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.06406 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.07134 188.1
[M+Na]+ 441.05328 193.1
[M-H]- 417.05678 196.2
[M+NH4]+ 436.09788 197.5
[M+K]+ 457.02722 177.1
[M+H-H2O]+ 401.06132 187.4
[M+HCOO]- 463.06226 204.3
[M+CH3COO]- 477.07791 215.6
[M+Na-2H]- 439.03873 193.3
[M]+ 418.06351 201.2
[M]- 418.06461 201.2
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.