CID 5073256

N-(2,3-dichlorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C18H18Cl2N4O3
SMILES
C1CN(CCN1CC(=O)NC2=C(C(=CC=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H18Cl2N4O3/c19-15-2-1-3-16(18(15)20)21-17(25)12-22-8-10-23(11-9-22)13-4-6-14(7-5-13)24(26)27/h1-7H,8-12H2,(H,21,25)
InChIKey
OJCLLBNVVMCUBE-UHFFFAOYSA-N
Compound name
N-(2,3-dichlorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0756 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.08288 189.4
[M+Na]+ 431.06482 204.2
[M+NH4]+ 426.10942 196.2
[M+K]+ 447.03876 198.6
[M-H]- 407.06832 195.6
[M+Na-2H]- 429.05027 197.2
[M]+ 408.07505 193.6
[M]- 408.07615 193.6
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.