CID 6482955

Schembl4993557

Structural Information

Molecular Formula
C25H23N3
SMILES
C1CN(CCC1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C25H23N3/c1-2-7-19(8-3-1)20-13-15-28(16-14-20)25-18-26-17-24(27-25)23-12-6-10-21-9-4-5-11-22(21)23/h1-12,17-18,20H,13-16H2
InChIKey
YNUIHHDQNXFTQQ-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-6-(4-phenylpiperidin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.1892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19648 192.1
[M+Na]+ 388.17842 197.2
[M-H]- 364.18192 199.6
[M+NH4]+ 383.22302 199.5
[M+K]+ 404.15236 188.2
[M+H-H2O]+ 348.18646 177.5
[M+HCOO]- 410.18740 205.8
[M+CH3COO]- 424.20305 199.3
[M+Na-2H]- 386.16387 196.3
[M]+ 365.18865 185.7
[M]- 365.18975 185.7
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

patents stripe