CID 6482871

Schembl5000712

Structural Information

Molecular Formula
C22H24N4
SMILES
CC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)C
InChI
InChI=1S/C22H24N4/c1-17-3-7-19(8-4-17)21-15-23-16-22(24-21)26-13-11-25(12-14-26)20-9-5-18(2)6-10-20/h3-10,15-16H,11-14H2,1-2H3
InChIKey
MNUZJUVUPCUXCH-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.2001 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20738 189.1
[M+Na]+ 367.18932 195.3
[M-H]- 343.19282 195.2
[M+NH4]+ 362.23392 195.7
[M+K]+ 383.16326 187.2
[M+H-H2O]+ 327.19736 174.9
[M+HCOO]- 389.19830 202.9
[M+CH3COO]- 403.21395 196.8
[M+Na-2H]- 365.17477 191.3
[M]+ 344.19955 184.2
[M]- 344.20065 184.2
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.