CID 470774

5h-[1,3]dioxolo[4,5-f]indol-6-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Structural Information

Molecular Formula
C22H23N3O4
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=CC5=C(C=C4N3)OCO5
InChI
InChI=1S/C22H23N3O4/c1-2-27-19-6-4-3-5-18(19)24-7-9-25(10-8-24)22(26)17-11-15-12-20-21(29-14-28-20)13-16(15)23-17/h3-6,11-13,23H,2,7-10,14H2,1H3
InChIKey
HTDBCQMAQCFGFB-UHFFFAOYSA-N
Compound name
5H-[1,3]dioxolo[4,5-f]indol-6-yl-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.16885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.17613 191.4
[M+Na]+ 416.15807 198.0
[M-H]- 392.16157 199.1
[M+NH4]+ 411.20267 200.1
[M+K]+ 432.13201 194.6
[M+H-H2O]+ 376.16611 182.0
[M+HCOO]- 438.16705 203.5
[M+CH3COO]- 452.18270 200.1
[M+Na-2H]- 414.14352 190.3
[M]+ 393.16830 192.2
[M]- 393.16940 192.2
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.