CID 6482687

Schembl5000677

Structural Information

Molecular Formula
C22H24N6O2
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC(=CC=C4)C(=O)NCCO
InChI
InChI=1S/C22H24N6O2/c29-13-8-25-22(30)18-3-1-2-17(14-18)20-15-24-16-21(26-20)28-11-9-27(10-12-28)19-4-6-23-7-5-19/h1-7,14-16,29H,8-13H2,(H,25,30)
InChIKey
WMWYDVBHTOMNEE-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-3-[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

404.19608 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20336 198.5
[M+Na]+ 427.18530 202.1
[M-H]- 403.18880 202.0
[M+NH4]+ 422.22990 199.7
[M+K]+ 443.15924 194.2
[M+H-H2O]+ 387.19334 183.9
[M+HCOO]- 449.19428 210.2
[M+CH3COO]- 463.20993 203.7
[M+Na-2H]- 425.17075 201.7
[M]+ 404.19553 192.9
[M]- 404.19663 192.9
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.