CID 3569631

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

Structural Information

Molecular Formula
C18H19ClN4O3
SMILES
C1CN(CCN1CC(=O)NC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H19ClN4O3/c19-14-2-1-3-15(12-14)20-18(24)13-21-8-10-22(11-9-21)16-4-6-17(7-5-16)23(25)26/h1-7,12H,8-11,13H2,(H,20,24)
InChIKey
QZVKQMVNMZBGJN-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.11456 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12184 183.6
[M+Na]+ 397.10378 197.6
[M+NH4]+ 392.14838 190.4
[M+K]+ 413.07772 192.6
[M-H]- 373.10728 190.0
[M+Na-2H]- 395.08923 191.8
[M]+ 374.11401 187.4
[M]- 374.11511 187.4
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.