CID 6483699

Schembl5000770

Structural Information

Molecular Formula
C24H24N4O2S
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CSC5=CC=CC=C54)OC
InChI
InChI=1S/C24H24N4O2S/c1-29-21-8-7-17(13-22(21)30-2)27-9-11-28(12-10-27)24-15-25-14-20(26-24)19-16-31-23-6-4-3-5-18(19)23/h3-8,13-16H,9-12H2,1-2H3
InChIKey
YVLLTSDFRQVWCO-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)-6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

432.162 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16928 203.7
[M+Na]+ 455.15122 212.6
[M-H]- 431.15472 212.3
[M+NH4]+ 450.19582 210.9
[M+K]+ 471.12516 204.9
[M+H-H2O]+ 415.15926 191.7
[M+HCOO]- 477.16020 215.2
[M+CH3COO]- 491.17585 211.9
[M+Na-2H]- 453.13667 203.0
[M]+ 432.16145 206.4
[M]- 432.16255 206.4
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.