CID 6483161

[2-methyl-4-[6-(2-naphthyl)pyrazin-2-yl]piperazin-1-yl]-(m-tolyl)methanone

Structural Information

Molecular Formula
C27H26N4O
SMILES
CC1CN(CCN1C(=O)C2=CC=CC(=C2)C)C3=NC(=CN=C3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C27H26N4O/c1-19-6-5-9-24(14-19)27(32)31-13-12-30(18-20(31)2)26-17-28-16-25(29-26)23-11-10-21-7-3-4-8-22(21)15-23/h3-11,14-17,20H,12-13,18H2,1-2H3
InChIKey
BAPBCAYBHSFIAP-UHFFFAOYSA-N
Compound name
[2-methyl-4-(6-naphthalen-2-ylpyrazin-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.21066 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21794 209.8
[M+Na]+ 445.19988 215.5
[M-H]- 421.20338 216.5
[M+NH4]+ 440.24448 213.8
[M+K]+ 461.17382 206.5
[M+H-H2O]+ 405.20792 194.4
[M+HCOO]- 467.20886 220.6
[M+CH3COO]- 481.22451 215.7
[M+Na-2H]- 443.18533 210.5
[M]+ 422.21011 205.4
[M]- 422.21121 205.4
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.