CID 6482764

Schembl4997711

Structural Information

Molecular Formula
C21H22N4O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CC=C(C=C4)CO
InChI
InChI=1S/C21H22N4O/c26-16-17-6-8-18(9-7-17)20-14-22-15-21(23-20)25-12-10-24(11-13-25)19-4-2-1-3-5-19/h1-9,14-15,26H,10-13,16H2
InChIKey
KASCOYHSHUBVMW-UHFFFAOYSA-N
Compound name
[4-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.17935 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18663 186.5
[M+Na]+ 369.16857 191.6
[M-H]- 345.17207 191.2
[M+NH4]+ 364.21317 192.0
[M+K]+ 385.14251 183.6
[M+H-H2O]+ 329.17661 172.7
[M+HCOO]- 391.17755 199.5
[M+CH3COO]- 405.19320 193.6
[M+Na-2H]- 367.15402 189.9
[M]+ 346.17880 180.6
[M]- 346.17990 180.6
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.