CID 6482900

Schembl4995211

Structural Information

Molecular Formula
C20H20ClN5O
SMILES
COC1=C(C=C(C=C1)Cl)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4
InChI
InChI=1S/C20H20ClN5O/c1-27-19-3-2-15(21)12-17(19)18-13-23-14-20(24-18)26-10-8-25(9-11-26)16-4-6-22-7-5-16/h2-7,12-14H,8-11H2,1H3
InChIKey
NKEYUGWRZRZHEM-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

381.13565 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.14293 193.0
[M+Na]+ 404.12487 200.4
[M-H]- 380.12837 197.6
[M+NH4]+ 399.16947 197.4
[M+K]+ 420.09881 191.9
[M+H-H2O]+ 364.13291 178.0
[M+HCOO]- 426.13385 201.4
[M+CH3COO]- 440.14950 200.0
[M+Na-2H]- 402.11032 195.8
[M]+ 381.13510 191.4
[M]- 381.13620 191.4
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