CID 6482686

Schembl4993223

Structural Information

Molecular Formula
C23H23N5O
SMILES
COC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC5=C4C=CN5
InChI
InChI=1S/C23H23N5O/c1-29-18-7-5-17(6-8-18)21-15-24-16-23(26-21)28-13-11-27(12-14-28)22-4-2-3-20-19(22)9-10-25-20/h2-10,15-16,25H,11-14H2,1H3
InChIKey
RFLPXDVVHYOEKA-UHFFFAOYSA-N
Compound name
4-[4-[6-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

385.19025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19753 194.8
[M+Na]+ 408.17947 202.0
[M-H]- 384.18297 200.2
[M+NH4]+ 403.22407 200.4
[M+K]+ 424.15341 192.9
[M+H-H2O]+ 368.18751 180.7
[M+HCOO]- 430.18845 207.6
[M+CH3COO]- 444.20410 201.9
[M+Na-2H]- 406.16492 196.8
[M]+ 385.18970 191.5
[M]- 385.19080 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe