CID 91963

1,4-bis(4-aminobenzoyl)piperazine

Structural Information

Molecular Formula
C18H20N4O2
SMILES
C1CN(CCN1C(=O)C2=CC=C(C=C2)N)C(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H20N4O2/c19-15-5-1-13(2-6-15)17(23)21-9-11-22(12-10-21)18(24)14-3-7-16(20)8-4-14/h1-8H,9-12,19-20H2
InChIKey
VZMALRANZODVRJ-UHFFFAOYSA-N
Compound name
[4-(4-aminobenzoyl)piperazin-1-yl]-(4-aminophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

324.15863 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.165906 178.0
[M+Na]+ 347.147848 182.1
[M-H]- 323.151354 183.5
[M+NH4]+ 342.192453 187.4
[M+K]+ 363.121788 177.2
[M+H-H2O]+ 307.155890 167.3
[M+HCOO]- 369.156831 194.9
[M+CH3COO]- 383.172481 212.1
[M+Na-2H]- 345.133296 178.2
[M]+ 324.15808142 170.5
[M]- 324.15917858 170.5
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

patents stripe