CID 6483186

Schembl5003179

Structural Information

Molecular Formula
C23H23N5S
SMILES
CC1=C(N=C(C(=N1)C)N2CCN(CC2)C3=CC=NC=C3)C4=CC5=CC=CC=C5S4
InChI
InChI=1S/C23H23N5S/c1-16-22(21-15-18-5-3-4-6-20(18)29-21)26-23(17(2)25-16)28-13-11-27(12-14-28)19-7-9-24-10-8-19/h3-10,15H,11-14H2,1-2H3
InChIKey
KFFNUSNMDGLYHZ-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-2-yl)-3,5-dimethyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

401.16742 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17470 197.9
[M+Na]+ 424.15664 208.1
[M-H]- 400.16014 205.3
[M+NH4]+ 419.20124 205.3
[M+K]+ 440.13058 198.6
[M+H-H2O]+ 384.16468 185.7
[M+HCOO]- 446.16562 208.1
[M+CH3COO]- 460.18127 206.1
[M+Na-2H]- 422.14209 197.1
[M]+ 401.16687 198.2
[M]- 401.16797 198.2
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