CID 6482653

Schembl4997813

Structural Information

Molecular Formula
C19H19N5O
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C19H19N5O/c25-17-3-1-2-15(12-17)18-13-21-14-19(22-18)24-10-8-23(9-11-24)16-4-6-20-7-5-16/h1-7,12-14,25H,8-11H2
InChIKey
YACMMRYZSFSHHC-UHFFFAOYSA-N
Compound name
3-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

333.15897 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16625 183.0
[M+Na]+ 356.14819 189.1
[M-H]- 332.15169 186.7
[M+NH4]+ 351.19279 187.7
[M+K]+ 372.12213 181.0
[M+H-H2O]+ 316.15623 168.9
[M+HCOO]- 378.15717 195.2
[M+CH3COO]- 392.17282 190.1
[M+Na-2H]- 354.13364 187.4
[M]+ 333.15842 176.9
[M]- 333.15952 176.9
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

patents stripe