CID 6482766

Schembl5000912

Structural Information

Molecular Formula
C21H21ClN4O
SMILES
COC1=C(C=C(C=C1)Cl)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C21H21ClN4O/c1-27-20-8-7-16(22)13-18(20)19-14-23-15-21(24-19)26-11-9-25(10-12-26)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3
InChIKey
BSONLSZVWWHHIH-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

380.14038 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14766 193.0
[M+Na]+ 403.12960 200.0
[M-H]- 379.13310 198.8
[M+NH4]+ 398.17420 198.9
[M+K]+ 419.10354 191.7
[M+H-H2O]+ 363.13764 178.7
[M+HCOO]- 425.13858 202.6
[M+CH3COO]- 439.15423 200.4
[M+Na-2H]- 401.11505 195.3
[M]+ 380.13983 191.3
[M]- 380.14093 191.3
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

No patent data available for this compound.