CID 470771

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

Structural Information

Molecular Formula
C21H23N5O3
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC5=C(C=C4N3)OCO5
InChI
InChI=1S/C21H23N5O3/c1-2-22-15-4-3-5-23-20(15)25-6-8-26(9-7-25)21(27)17-10-14-11-18-19(29-13-28-18)12-16(14)24-17/h3-5,10-12,22,24H,2,6-9,13H2,1H3
InChIKey
GQWKHBROQHPIGD-UHFFFAOYSA-N
Compound name
5H-[1,3]dioxolo[4,5-f]indol-6-yl-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.18008 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18736 191.2
[M+Na]+ 416.16930 197.5
[M-H]- 392.17280 197.7
[M+NH4]+ 411.21390 198.3
[M+K]+ 432.14324 193.4
[M+H-H2O]+ 376.17734 180.9
[M+HCOO]- 438.17828 203.2
[M+CH3COO]- 452.19393 199.2
[M+Na-2H]- 414.15475 191.2
[M]+ 393.17953 190.3
[M]- 393.18063 190.3
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.