CID 3498566

477328-84-0

Structural Information

Molecular Formula
C19H20ClN3O3
SMILES
C1CN(CCN1CCC(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H20ClN3O3/c20-16-3-1-15(2-4-16)19(24)9-10-21-11-13-22(14-12-21)17-5-7-18(8-6-17)23(25)26/h1-8H,9-14H2
InChIKey
GAEASSKGAXIANV-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

373.11932 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12660 184.6
[M+Na]+ 396.10854 199.7
[M+NH4]+ 391.15314 191.8
[M+K]+ 412.08248 194.0
[M-H]- 372.11204 190.8
[M+Na-2H]- 394.09399 192.9
[M]+ 373.11877 188.7
[M]- 373.11987 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.