CID 6482756

2-(2,4-diphenylpiperazin-1-yl)pyrazine

Structural Information

Molecular Formula
C20H20N4
SMILES
C1CN(C(CN1C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=CN=C4
InChI
InChI=1S/C20H20N4/c1-3-7-17(8-4-1)19-16-23(18-9-5-2-6-10-18)13-14-24(19)20-15-21-11-12-22-20/h1-12,15,19H,13-14,16H2
InChIKey
NSTVZSKLSAHGJP-UHFFFAOYSA-N
Compound name
2-(2,4-diphenylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17608 178.5
[M+Na]+ 339.15802 183.6
[M-H]- 315.16152 184.1
[M+NH4]+ 334.20262 185.6
[M+K]+ 355.13196 176.0
[M+H-H2O]+ 299.16606 164.4
[M+HCOO]- 361.16700 193.0
[M+CH3COO]- 375.18265 186.4
[M+Na-2H]- 337.14347 183.4
[M]+ 316.16825 172.1
[M]- 316.16935 172.1
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

No patent data available for this compound.