CID 5134657

1-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine

Structural Information

Molecular Formula
C17H19N3O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H19N3O3/c1-23-17-8-6-15(7-9-17)19-12-10-18(11-13-19)14-2-4-16(5-3-14)20(21)22/h2-9H,10-13H2,1H3
InChIKey
AVCKOFMRPAJEPN-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

313.14264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 173.1
[M+Na]+ 336.13186 177.2
[M-H]- 312.13536 179.4
[M+NH4]+ 331.17646 183.2
[M+K]+ 352.10580 169.0
[M+H-H2O]+ 296.13990 166.5
[M+HCOO]- 358.14084 191.8
[M+CH3COO]- 372.15649 200.5
[M+Na-2H]- 334.11731 178.4
[M]+ 313.14209 168.3
[M]- 313.14319 168.3
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

patents stripe