CID 489472

1-[5,6-dimethoxyindolyl-2-carbonyl]-4-[3-ethylamino-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C22H27N5O3
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC(=C(C=C4N3)OC)OC
InChI
InChI=1S/C22H27N5O3/c1-4-23-16-6-5-7-24-21(16)26-8-10-27(11-9-26)22(28)18-12-15-13-19(29-2)20(30-3)14-17(15)25-18/h5-7,12-14,23,25H,4,8-11H2,1-3H3
InChIKey
YBUARNVYFBYAIN-UHFFFAOYSA-N
Compound name
(5,6-dimethoxy-1H-indol-2-yl)-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

409.2114 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21868 199.6
[M+Na]+ 432.20062 205.7
[M-H]- 408.20412 203.8
[M+NH4]+ 427.24522 206.2
[M+K]+ 448.17456 199.5
[M+H-H2O]+ 392.20866 187.7
[M+HCOO]- 454.20960 213.9
[M+CH3COO]- 468.22525 206.8
[M+Na-2H]- 430.18607 199.7
[M]+ 409.21085 199.7
[M]- 409.21195 199.7
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

patents stripe