CID 6482663

Schembl4997684

Structural Information

Molecular Formula
C19H18ClN5
SMILES
C1CN(CCN1C2=CC=CC=N2)C3=NC(=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H18ClN5/c20-16-6-4-15(5-7-16)17-13-21-14-19(23-17)25-11-9-24(10-12-25)18-3-1-2-8-22-18/h1-8,13-14H,9-12H2
InChIKey
GCZCHTOTPWVGHI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.12506 Da
Monoisotopic Mass

3.4
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

No literature data available for this compound.

Patent stripe

patents stripe