CID 6482962

Schembl4991361

Structural Information

Molecular Formula
C21H21ClN4
SMILES
CC1=CC(=CC=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H21ClN4/c1-16-3-2-4-17(13-16)20-14-23-15-21(24-20)26-11-9-25(10-12-26)19-7-5-18(22)6-8-19/h2-8,13-15H,9-12H2,1H3
InChIKey
AXKOBLLVNSJVNE-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]-6-(3-methylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

364.14548 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15276 190.3
[M+Na]+ 387.13470 197.5
[M-H]- 363.13820 196.1
[M+NH4]+ 382.17930 197.0
[M+K]+ 403.10864 188.5
[M+H-H2O]+ 347.14274 176.1
[M+HCOO]- 409.14368 199.7
[M+CH3COO]- 423.15933 197.9
[M+Na-2H]- 385.12015 192.5
[M]+ 364.14493 187.3
[M]- 364.14603 187.3
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

patents stripe