CID 6482826

Schembl4992310

Structural Information

Molecular Formula
C22H23ClN4O2
SMILES
COC1=CC=CC(=C1OC)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H23ClN4O2/c1-28-20-8-4-7-18(22(20)29-2)19-14-24-15-21(25-19)27-11-9-26(10-12-27)17-6-3-5-16(23)13-17/h3-8,13-15H,9-12H2,1-2H3
InChIKey
UZBZRNBFVJPQNC-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

410.15094 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.15822 200.7
[M+Na]+ 433.14016 207.9
[M-H]- 409.14366 206.8
[M+NH4]+ 428.18476 205.5
[M+K]+ 449.11410 200.2
[M+H-H2O]+ 393.14820 186.2
[M+HCOO]- 455.14914 210.1
[M+CH3COO]- 469.16479 207.9
[M+Na-2H]- 431.12561 201.8
[M]+ 410.15039 201.1
[M]- 410.15149 201.1
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

patents stripe