CID 6482703

Schembl4997424

Structural Information

Molecular Formula
C23H27N5O
SMILES
CC(C)C1=CC(=C(C=C1)OC)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4
InChI
InChI=1S/C23H27N5O/c1-17(2)18-4-5-22(29-3)20(14-18)21-15-25-16-23(26-21)28-12-10-27(11-13-28)19-6-8-24-9-7-19/h4-9,14-17H,10-13H2,1-3H3
InChIKey
YGRPZZHAHSLMIZ-UHFFFAOYSA-N
Compound name
2-(2-methoxy-5-propan-2-ylphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

389.22156 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.22884 200.3
[M+Na]+ 412.21078 205.4
[M-H]- 388.21428 205.0
[M+NH4]+ 407.25538 203.4
[M+K]+ 428.18472 197.9
[M+H-H2O]+ 372.21882 185.2
[M+HCOO]- 434.21976 211.5
[M+CH3COO]- 448.23541 206.4
[M+Na-2H]- 410.19623 201.1
[M]+ 389.22101 197.0
[M]- 389.22211 197.0
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.