CID 6482792

Schembl4987334

Structural Information

Molecular Formula
C26H24N4O
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C26H24N4O/c1-19(31)20-9-11-22(12-10-20)29-13-15-30(16-14-29)26-18-27-17-25(28-26)24-8-4-6-21-5-2-3-7-23(21)24/h2-12,17-18H,13-16H2,1H3
InChIKey
INVQTAPRECYNOB-UHFFFAOYSA-N
Compound name
1-[4-[4-(6-naphthalen-1-ylpyrazin-2-yl)piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

408.195 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20228 204.1
[M+Na]+ 431.18422 209.2
[M-H]- 407.18772 210.5
[M+NH4]+ 426.22882 208.2
[M+K]+ 447.15816 200.3
[M+H-H2O]+ 391.19226 188.7
[M+HCOO]- 453.19320 215.2
[M+CH3COO]- 467.20885 210.1
[M+Na-2H]- 429.16967 206.1
[M]+ 408.19445 198.9
[M]- 408.19555 198.9
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.