CID 6483182

Schembl4996313

Structural Information

Molecular Formula
C22H24N4OS
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)SC
InChI
InChI=1S/C22H24N4OS/c1-27-19-5-3-4-18(14-19)25-10-12-26(13-11-25)22-16-23-15-21(24-22)17-6-8-20(28-2)9-7-17/h3-9,14-16H,10-13H2,1-2H3
InChIKey
KHWYFECLNHEVGG-UHFFFAOYSA-N
Compound name
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.16708 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.17436 195.2
[M+Na]+ 415.15630 202.0
[M-H]- 391.15980 201.6
[M+NH4]+ 410.20090 200.9
[M+K]+ 431.13024 193.9
[M+H-H2O]+ 375.16434 182.3
[M+HCOO]- 437.16528 205.1
[M+CH3COO]- 451.18093 202.6
[M+Na-2H]- 413.14175 195.4
[M]+ 392.16653 194.1
[M]- 392.16763 194.1
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