CID 6482700

Schembl4997692

Structural Information

Molecular Formula
C20H21N5O
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC=CC(=C4)CO
InChI
InChI=1S/C20H21N5O/c26-15-16-2-1-3-17(12-16)19-13-22-14-20(23-19)25-10-8-24(9-11-25)18-4-6-21-7-5-18/h1-7,12-14,26H,8-11,15H2
InChIKey
AZFLWLYHLNJBJY-UHFFFAOYSA-N
Compound name
[3-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.17462 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18190 187.1
[M+Na]+ 370.16384 192.6
[M-H]- 346.16734 190.5
[M+NH4]+ 365.20844 191.1
[M+K]+ 386.13778 184.4
[M+H-H2O]+ 330.17188 172.7
[M+HCOO]- 392.17282 198.9
[M+CH3COO]- 406.18847 193.7
[M+Na-2H]- 368.14929 191.0
[M]+ 347.17407 181.3
[M]- 347.17517 181.3
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.