CID 6482685

Schembl4996229

Structural Information

Molecular Formula
C25H27N5O3
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC5=C4C=CN5
InChI
InChI=1S/C25H27N5O3/c1-31-22-13-17(14-23(32-2)25(22)33-3)20-15-26-16-24(28-20)30-11-9-29(10-12-30)21-6-4-5-19-18(21)7-8-27-19/h4-8,13-16,27H,9-12H2,1-3H3
InChIKey
LTSWOQXRIIHWHZ-UHFFFAOYSA-N
Compound name
4-[4-[6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperazin-1-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

445.2114 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.21868 210.8
[M+Na]+ 468.20062 218.2
[M-H]- 444.20412 216.7
[M+NH4]+ 463.24522 214.2
[M+K]+ 484.17456 210.3
[M+H-H2O]+ 428.20866 196.6
[M+HCOO]- 490.20960 223.0
[M+CH3COO]- 504.22525 217.2
[M+Na-2H]- 466.18607 210.4
[M]+ 445.21085 211.5
[M]- 445.21195 211.5
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.