CID 470775

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

Structural Information

Molecular Formula
C21H21N3O4
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=CC5=C(C=C4N3)OCO5
InChI
InChI=1S/C21H21N3O4/c1-26-18-5-3-2-4-17(18)23-6-8-24(9-7-23)21(25)16-10-14-11-19-20(28-13-27-19)12-15(14)22-16/h2-5,10-12,22H,6-9,13H2,1H3
InChIKey
JAOWGQLEVNROJP-UHFFFAOYSA-N
Compound name
5H-[1,3]dioxolo[4,5-f]indol-6-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1532 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 187.0
[M+Na]+ 402.14242 194.0
[M-H]- 378.14592 194.8
[M+NH4]+ 397.18702 196.3
[M+K]+ 418.11636 190.9
[M+H-H2O]+ 362.15046 177.8
[M+HCOO]- 424.15140 199.4
[M+CH3COO]- 438.16705 196.1
[M+Na-2H]- 400.12787 186.4
[M]+ 379.15265 187.4
[M]- 379.15375 187.4
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.