CID 471076

2h-1,3-dioxoleno[4,5-f]indol-6-yl 4-(2-furylcarbonyl)piperazinyl ketone

Structural Information

Molecular Formula
C19H17N3O5
SMILES
C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C3=CC4=CC5=C(C=C4N3)OCO5
InChI
InChI=1S/C19H17N3O5/c23-18(14-8-12-9-16-17(27-11-26-16)10-13(12)20-14)21-3-5-22(6-4-21)19(24)15-2-1-7-25-15/h1-2,7-10,20H,3-6,11H2
InChIKey
SNDRMYZDZDVROA-UHFFFAOYSA-N
Compound name
[4-(5H-[1,3]dioxolo[4,5-f]indole-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.11682 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12410 179.9
[M+Na]+ 390.10604 186.7
[M-H]- 366.10954 189.0
[M+NH4]+ 385.15064 190.0
[M+K]+ 406.07998 186.2
[M+H-H2O]+ 350.11408 173.6
[M+HCOO]- 412.11502 192.5
[M+CH3COO]- 426.13067 189.8
[M+Na-2H]- 388.09149 177.5
[M]+ 367.11627 181.2
[M]- 367.11737 181.2
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.