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]+ 360.18190 188.4
[M+Na]+ 382.16384 193.0
[M-H]- 358.16734 194.1
[M+NH4]+ 377.20844 193.3
[M+K]+ 398.13778 185.5
[M+H-H2O]+ 342.17188 174.5
[M+HCOO]- 404.17282 202.5
[M+CH3COO]- 418.18847 195.3
[M+Na-2H]- 380.14929 191.1
[M]+ 359.17407 181.6
[M]- 359.17517 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