CID 6482721

Schembl4997473

Structural Information

Molecular Formula
C20H21N7O
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3N)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C20H21N7O/c21-18-20(27-11-9-26(10-12-27)16-5-7-23-8-6-16)25-17(13-24-18)14-1-3-15(4-2-14)19(22)28/h1-8,13H,9-12H2,(H2,21,24)(H2,22,28)
InChIKey
OSQZHGNQZRYBPL-UHFFFAOYSA-N
Compound name
4-[5-amino-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

375.18076 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18804 192.3
[M+Na]+ 398.16998 197.7
[M-H]- 374.17348 197.1
[M+NH4]+ 393.21458 195.1
[M+K]+ 414.14392 189.7
[M+H-H2O]+ 358.17802 178.4
[M+HCOO]- 420.17896 206.0
[M+CH3COO]- 434.19461 198.6
[M+Na-2H]- 396.15543 195.0
[M]+ 375.18021 184.9
[M]- 375.18131 184.9
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.