CID 78665

1,4-bis(4-nitrosophenyl)piperazine

Structural Information

Molecular Formula
C16H16N4O2
SMILES
C1CN(CCN1C2=CC=C(C=C2)N=O)C3=CC=C(C=C3)N=O
InChI
InChI=1S/C16H16N4O2/c21-17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)16-7-3-14(18-22)4-8-16/h1-8H,9-12H2
InChIKey
FHBCYOPBRVSSCN-UHFFFAOYSA-N
Compound name
1,4-bis(4-nitrosophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.12732 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13460 167.4
[M+Na]+ 319.11654 173.5
[M-H]- 295.12004 176.5
[M+NH4]+ 314.16114 179.8
[M+K]+ 335.09048 170.1
[M+H-H2O]+ 279.12458 155.6
[M+HCOO]- 341.12552 191.1
[M+CH3COO]- 355.14117 211.3
[M+Na-2H]- 317.10199 173.6
[M]+ 296.12677 165.9
[M]- 296.12787 165.9
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