CID 5085660

N-(4-chloro-3-nitrophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C18H18Cl2N4O3
SMILES
C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H18Cl2N4O3/c19-13-2-1-3-15(10-13)23-8-6-22(7-9-23)12-18(25)21-14-4-5-16(20)17(11-14)24(26)27/h1-5,10-11H,6-9,12H2,(H,21,25)
InChIKey
VJEPNNJYMNRRSW-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-nitrophenyl)-2-[4-(3-chlorophenyl)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 192.7
[M+Na]+ 431.06482 196.6
[M-H]- 407.06832 197.5
[M+NH4]+ 426.10942 199.9
[M+K]+ 447.03876 186.4
[M+H-H2O]+ 391.07286 187.2
[M+HCOO]- 453.07380 201.4
[M+CH3COO]- 467.08945 216.3
[M+Na-2H]- 429.05027 194.9
[M]+ 408.07505 190.4
[M]- 408.07615 190.4
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

No patent data available for this compound.