CID 6482715

4-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]benzamide

Structural Information

Molecular Formula
C21H21N5O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C21H21N5O/c22-21(27)17-8-6-16(7-9-17)19-14-23-15-20(24-19)26-12-10-25(11-13-26)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2,(H2,22,27)
InChIKey
QIGGPHQVUULCKL-UHFFFAOYSA-N
Compound name
4-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

359.17462 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.181896 188.4
[M+Na]+ 382.163838 193.0
[M-H]- 358.167344 194.1
[M+NH4]+ 377.208443 193.3
[M+K]+ 398.137778 185.5
[M+H-H2O]+ 342.171880 174.5
[M+HCOO]- 404.172821 202.5
[M+CH3COO]- 418.188471 195.3
[M+Na-2H]- 380.149286 191.1
[M]+ 359.17407142 181.6
[M]- 359.17516858 181.6
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