CID 16072598

Piperazine, 1,4-bis[(5,6-dihydroxy-1h-indol-2-yl)carbonyl]-

Structural Information

Molecular Formula
C22H20N4O6
SMILES
C1CN(CCN1C(=O)C2=CC3=CC(=C(C=C3N2)O)O)C(=O)C4=CC5=CC(=C(C=C5N4)O)O
InChI
InChI=1S/C22H20N4O6/c27-17-7-11-5-15(23-13(11)9-19(17)29)21(31)25-1-2-26(4-3-25)22(32)16-6-12-8-18(28)20(30)10-14(12)24-16/h5-10,23-24,27-30H,1-4H2
InChIKey
PCNFLSUUTFREOB-UHFFFAOYSA-N
Compound name
[4-(5,6-dihydroxy-1H-indole-2-carbonyl)piperazin-1-yl]-(5,6-dihydroxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.13828 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14556 198.8
[M+Na]+ 459.12750 206.0
[M-H]- 435.13100 200.2
[M+NH4]+ 454.17210 204.2
[M+K]+ 475.10144 199.4
[M+H-H2O]+ 419.13554 191.0
[M+HCOO]- 481.13648 206.2
[M+CH3COO]- 495.15213 204.9
[M+Na-2H]- 457.11295 195.5
[M]+ 436.13773 196.3
[M]- 436.13883 196.3
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.