CID 489443

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

Structural Information

Molecular Formula
C23H29N5O3
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=C(C=C4N3)OC)OC
InChI
InChI=1S/C23H29N5O3/c1-15(2)25-17-6-5-7-24-22(17)27-8-10-28(11-9-27)23(29)19-12-16-13-20(30-3)21(31-4)14-18(16)26-19/h5-7,12-15,25-26H,8-11H2,1-4H3
InChIKey
XSWLTTNDLBHKGL-UHFFFAOYSA-N
Compound name
(5,6-dimethoxy-1H-indol-2-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

423.22705 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23433 203.6
[M+Na]+ 446.21627 208.8
[M-H]- 422.21977 207.7
[M+NH4]+ 441.26087 209.5
[M+K]+ 462.19021 203.1
[M+H-H2O]+ 406.22431 191.8
[M+HCOO]- 468.22525 216.5
[M+CH3COO]- 482.24090 210.2
[M+Na-2H]- 444.20172 202.2
[M]+ 423.22650 203.5
[M]- 423.22760 203.5
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.