CID 6482651

Schembl4987364

Structural Information

Molecular Formula
C19H18ClN5
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H18ClN5/c20-16-3-1-2-15(12-16)18-13-22-14-19(23-18)25-10-8-24(9-11-25)17-4-6-21-7-5-17/h1-7,12-14H,8-11H2
InChIKey
URHDLQYYFBJUKP-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

351.12506 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.13234 185.1
[M+Na]+ 374.11428 192.2
[M-H]- 350.11778 189.3
[M+NH4]+ 369.15888 190.5
[M+K]+ 390.08822 183.2
[M+H-H2O]+ 334.12232 170.2
[M+HCOO]- 396.12326 193.7
[M+CH3COO]- 410.13891 192.4
[M+Na-2H]- 372.09973 189.2
[M]+ 351.12451 181.4
[M]- 351.12561 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe