CID 470770

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

Structural Information

Molecular Formula
C22H25N5O3
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC5=C(C=C4N3)OCO5
InChI
InChI=1S/C22H25N5O3/c1-14(2)24-16-4-3-5-23-21(16)26-6-8-27(9-7-26)22(28)18-10-15-11-19-20(30-13-29-19)12-17(15)25-18/h3-5,10-12,14,24-25H,6-9,13H2,1-2H3
InChIKey
PHCYDCFMKBFNQM-UHFFFAOYSA-N
Compound name
5H-[1,3]dioxolo[4,5-f]indol-6-yl-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.19574 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.20302 195.9
[M+Na]+ 430.18496 201.4
[M-H]- 406.18846 202.4
[M+NH4]+ 425.22956 202.4
[M+K]+ 446.15890 197.7
[M+H-H2O]+ 390.19300 185.7
[M+HCOO]- 452.19394 206.6
[M+CH3COO]- 466.20959 203.3
[M+Na-2H]- 428.17041 194.4
[M]+ 407.19519 194.8
[M]- 407.19629 194.8
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.