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

7
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 175.0
[M+Na]+ 351.10638 177.2
[M-H]- 327.10988 181.1
[M+NH4]+ 346.15098 182.8
[M+K]+ 367.08032 165.2
[M+H-H2O]+ 311.11442 172.6
[M+HCOO]- 373.11536 194.0
[M+CH3COO]- 387.13101 198.0
[M+Na-2H]- 349.09183 182.3
[M]+ 328.11661 166.9
[M]- 328.11771 166.9
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.