CID 6482940

Schembl4996916

Structural Information

Molecular Formula
C23H25N5O
SMILES
CC1CN(CCN1C2=CC=CC(=C2)C)C3=NC(=CN=C3)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C23H25N5O/c1-16-4-3-5-20(12-16)28-11-10-27(15-17(28)2)22-14-25-13-21(26-22)18-6-8-19(9-7-18)23(24)29/h3-9,12-14,17H,10-11,15H2,1-2H3,(H2,24,29)
InChIKey
HQYNHFNPHXMVGN-UHFFFAOYSA-N
Compound name
4-[6-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

387.2059 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21318 199.3
[M+Na]+ 410.19512 205.0
[M-H]- 386.19862 205.6
[M+NH4]+ 405.23972 203.7
[M+K]+ 426.16906 197.1
[M+H-H2O]+ 370.20316 185.4
[M+HCOO]- 432.20410 212.8
[M+CH3COO]- 446.21975 206.1
[M+Na-2H]- 408.18057 199.3
[M]+ 387.20535 194.1
[M]- 387.20645 194.1
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.