CID 85353

1,4-bis(4-nitrophenyl)piperazine

Structural Information

Molecular Formula
C16H16N4O4
SMILES
C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H16N4O4/c21-19(22)15-5-1-13(2-6-15)17-9-11-18(12-10-17)14-3-7-16(8-4-14)20(23)24/h1-8H,9-12H2
InChIKey
VCZGAOMAWKGNEF-UHFFFAOYSA-N
Compound name
1,4-bis(4-nitrophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

328.11716 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12444 175.2
[M+Na]+ 351.10638 189.9
[M+NH4]+ 346.15098 182.0
[M+K]+ 367.08032 187.9
[M-H]- 327.10988 182.6
[M+Na-2H]- 349.09183 183.3
[M]+ 328.11661 179.1
[M]- 328.11771 179.1
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