CID 6482670

Schembl5002823

Structural Information

Molecular Formula
C20H20N6O
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C20H20N6O/c21-20(27)16-3-1-15(2-4-16)18-13-23-14-19(24-18)26-11-9-25(10-12-26)17-5-7-22-8-6-17/h1-8,13-14H,9-12H2,(H2,21,27)
InChIKey
ATCZQIKJGHZXCX-UHFFFAOYSA-N
Compound name
4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

360.16986 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17714 188.7
[M+Na]+ 383.15908 193.8
[M-H]- 359.16258 193.2
[M+NH4]+ 378.20368 192.2
[M+K]+ 399.13302 186.0
[M+H-H2O]+ 343.16712 174.3
[M+HCOO]- 405.16806 201.7
[M+CH3COO]- 419.18371 195.2
[M+Na-2H]- 381.14453 192.0
[M]+ 360.16931 182.0
[M]- 360.17041 182.0
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