CID 6483147

Schembl4997060

Structural Information

Molecular Formula
C20H18N6S
SMILES
C1CN(CCN1C2=NC=CN=C2)C3=NC(=CN=C3)C4=CSC5=CC=CC=C54
InChI
InChI=1S/C20H18N6S/c1-2-4-18-15(3-1)16(14-27-18)17-11-22-13-20(24-17)26-9-7-25(8-10-26)19-12-21-5-6-23-19/h1-6,11-14H,7-10H2
InChIKey
VSTYEXGBOCJCMS-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.13138 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13866 186.6
[M+Na]+ 397.12060 196.5
[M-H]- 373.12410 192.4
[M+NH4]+ 392.16520 193.2
[M+K]+ 413.09454 187.3
[M+H-H2O]+ 357.12864 174.1
[M+HCOO]- 419.12958 196.6
[M+CH3COO]- 433.14523 194.8
[M+Na-2H]- 395.10605 188.8
[M]+ 374.13083 185.5
[M]- 374.13193 185.5
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.