CID 6482780

Schembl4996226

Structural Information

Molecular Formula
C21H22N4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4/c1-17-7-9-19(10-8-17)24-11-13-25(14-12-24)21-16-22-15-20(23-21)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3
InChIKey
DRMHPEPGVMVMGI-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.18445 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19173 183.8
[M+Na]+ 353.17367 189.5
[M-H]- 329.17717 189.7
[M+NH4]+ 348.21827 190.7
[M+K]+ 369.14761 181.6
[M+H-H2O]+ 313.18171 169.7
[M+HCOO]- 375.18265 198.0
[M+CH3COO]- 389.19830 191.6
[M+Na-2H]- 351.15912 187.4
[M]+ 330.18390 178.2
[M]- 330.18500 178.2
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.