CID 6482732

Schembl5000708

Structural Information

Molecular Formula
C19H20N4OS
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=CN=C3)C4=CSC=C4
InChI
InChI=1S/C19H20N4OS/c1-24-18-5-3-2-4-17(18)22-7-9-23(10-8-22)19-13-20-12-16(21-19)15-6-11-25-14-15/h2-6,11-14H,7-10H2,1H3
InChIKey
PFLLKVYDCVKSCL-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-thiophen-3-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

352.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 182.2
[M+Na]+ 375.12499 189.8
[M-H]- 351.12849 189.5
[M+NH4]+ 370.16959 191.5
[M+K]+ 391.09893 183.1
[M+H-H2O]+ 335.13303 170.8
[M+HCOO]- 397.13397 194.4
[M+CH3COO]- 411.14962 191.2
[M+Na-2H]- 373.11044 181.4
[M]+ 352.13522 181.2
[M]- 352.13632 181.2
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

No patent data available for this compound.