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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.