CID 6482802

Schembl5000654

Structural Information

Molecular Formula
C23H24N4OS
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)SC
InChI
InChI=1S/C23H24N4OS/c1-17(28)18-3-7-20(8-4-18)26-11-13-27(14-12-26)23-16-24-15-22(25-23)19-5-9-21(29-2)10-6-19/h3-10,15-16H,11-14H2,1-2H3
InChIKey
ILBCVZMSCGSIFP-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(4-methylsulfanylphenyl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.16708 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17436 198.2
[M+Na]+ 427.15630 204.5
[M-H]- 403.15980 204.6
[M+NH4]+ 422.20090 203.2
[M+K]+ 443.13024 196.2
[M+H-H2O]+ 387.16434 185.4
[M+HCOO]- 449.16528 206.9
[M+CH3COO]- 463.18093 205.1
[M+Na-2H]- 425.14175 197.1
[M]+ 404.16653 196.3
[M]- 404.16763 196.3
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.