CID 6482960

Schembl4996182

Structural Information

Molecular Formula
C22H24N4O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)CO
InChI
InChI=1S/C22H24N4O2/c1-28-20-4-2-3-19(13-20)25-9-11-26(12-10-25)22-15-23-14-21(24-22)18-7-5-17(16-27)6-8-18/h2-8,13-15,27H,9-12,16H2,1H3
InChIKey
LRBLJMYIKWNTSQ-UHFFFAOYSA-N
Compound name
[4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

376.1899 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 194.6
[M+Na]+ 399.17912 199.9
[M-H]- 375.18262 199.6
[M+NH4]+ 394.22372 199.1
[M+K]+ 415.15306 192.5
[M+H-H2O]+ 359.18716 180.6
[M+HCOO]- 421.18810 207.4
[M+CH3COO]- 435.20375 201.4
[M+Na-2H]- 397.16457 196.7
[M]+ 376.18935 190.8
[M]- 376.19045 190.8
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.