CID 6483177

Schembl4996158

Structural Information

Molecular Formula
C22H23N5O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C22H23N5O2/c1-29-19-4-2-3-18(13-19)26-9-11-27(12-10-26)21-15-24-14-20(25-21)16-5-7-17(8-6-16)22(23)28/h2-8,13-15H,9-12H2,1H3,(H2,23,28)
InChIKey
OSGZCXJPPNZKRE-UHFFFAOYSA-N
Compound name
4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

389.18518 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19246 196.4
[M+Na]+ 412.17440 201.3
[M-H]- 388.17790 202.4
[M+NH4]+ 407.21900 200.3
[M+K]+ 428.14834 194.3
[M+H-H2O]+ 372.18244 182.3
[M+HCOO]- 434.18338 210.3
[M+CH3COO]- 448.19903 203.1
[M+Na-2H]- 410.15985 197.9
[M]+ 389.18463 191.7
[M]- 389.18573 191.7
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.