CID 6483173

Schembl4993730

Structural Information

Molecular Formula
C23H26N4S
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)SC)C
InChI
InChI=1S/C23H26N4S/c1-17-4-7-20(14-18(17)2)26-10-12-27(13-11-26)23-16-24-15-22(25-23)19-5-8-21(28-3)9-6-19/h4-9,14-16H,10-13H2,1-3H3
InChIKey
GZYJJXADEBSLJO-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-6-(4-methylsulfanylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

390.1878 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19508 197.0
[M+Na]+ 413.17702 204.5
[M-H]- 389.18052 203.6
[M+NH4]+ 408.22162 203.2
[M+K]+ 429.15096 195.5
[M+H-H2O]+ 373.18506 184.2
[M+HCOO]- 435.18600 206.3
[M+CH3COO]- 449.20165 204.5
[M+Na-2H]- 411.16247 195.7
[M]+ 390.18725 195.4
[M]- 390.18835 195.4
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.