CID 6482650

Schembl5000876

Structural Information

Molecular Formula
C26H26N4O2
SMILES
COC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC5=CC=CC=C5C=C4)OC
InChI
InChI=1S/C26H26N4O2/c1-31-24-10-9-22(16-25(24)32-2)29-11-13-30(14-12-29)26-18-27-17-23(28-26)21-8-7-19-5-3-4-6-20(19)15-21/h3-10,15-18H,11-14H2,1-2H3
InChIKey
HDJLLJYOASWFDG-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

426.20557 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21285 209.5
[M+Na]+ 449.19479 215.4
[M-H]- 425.19829 216.3
[M+NH4]+ 444.23939 213.2
[M+K]+ 465.16873 207.3
[M+H-H2O]+ 409.20283 193.7
[M+HCOO]- 471.20377 221.6
[M+CH3COO]- 485.21942 215.6
[M+Na-2H]- 447.18024 211.7
[M]+ 426.20502 207.3
[M]- 426.20612 207.3
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