CID 6482669

Schembl4995106

Structural Information

Molecular Formula
C23H25N5O3
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(=O)N)OC
InChI
InChI=1S/C23H25N5O3/c1-30-20-8-7-18(13-21(20)31-2)27-9-11-28(12-10-27)22-15-25-14-19(26-22)16-3-5-17(6-4-16)23(24)29/h3-8,13-15H,9-12H2,1-2H3,(H2,24,29)
InChIKey
CVKKKPJJPCGJPV-UHFFFAOYSA-N
Compound name
4-[6-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

419.19574 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20302 204.2
[M+Na]+ 442.18496 209.3
[M-H]- 418.18846 210.5
[M+NH4]+ 437.22956 207.0
[M+K]+ 458.15890 203.0
[M+H-H2O]+ 402.19300 189.9
[M+HCOO]- 464.19394 217.9
[M+CH3COO]- 478.20959 210.6
[M+Na-2H]- 440.17041 204.5
[M]+ 419.19519 201.6
[M]- 419.19629 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe