CID 3092238

1,4-bis(4-nitrobenzoyl)piperazine

Structural Information

Molecular Formula
C18H16N4O6
SMILES
C1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H16N4O6/c23-17(13-1-5-15(6-2-13)21(25)26)19-9-11-20(12-10-19)18(24)14-3-7-16(8-4-14)22(27)28/h1-8H,9-12H2
InChIKey
KZZNCJHPWZZHEZ-UHFFFAOYSA-N
Compound name
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

384.107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11428 184.8
[M+Na]+ 407.09622 197.4
[M+NH4]+ 402.14082 189.4
[M+K]+ 423.07016 197.7
[M-H]- 383.09972 190.3
[M+Na-2H]- 405.08167 191.0
[M]+ 384.10645 187.6
[M]- 384.10755 187.6
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