CID 4334827

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

Structural Information

Molecular Formula
C18H18ClN5O5
SMILES
C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H18ClN5O5/c19-16-6-1-13(11-17(16)24(28)29)20-18(25)12-21-7-9-22(10-8-21)14-2-4-15(5-3-14)23(26)27/h1-6,11H,7-10,12H2,(H,20,25)
InChIKey
MXYGTTQDSZRRNS-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-nitrophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.09964 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.10692 193.0
[M+Na]+ 442.08886 206.4
[M+NH4]+ 437.13346 198.3
[M+K]+ 458.06280 205.0
[M-H]- 418.09236 199.7
[M+Na-2H]- 440.07431 199.5
[M]+ 419.09909 196.6
[M]- 419.10019 196.6
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.