CID 6483174

Schembl4994408

Structural Information

Molecular Formula
C23H25N3O2
SMILES
COC1=C(C=C(C=C1)C2=CN=CC(=N2)N3CCC(CC3)C4=CC=CC=C4)OC
InChI
InChI=1S/C23H25N3O2/c1-27-21-9-8-19(14-22(21)28-2)20-15-24-16-23(25-20)26-12-10-18(11-13-26)17-6-4-3-5-7-17/h3-9,14-16,18H,10-13H2,1-2H3
InChIKey
RHFPWOHTMLYCJJ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-6-(4-phenylpiperidin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

375.19467 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 194.4
[M+Na]+ 398.18389 199.7
[M-H]- 374.18739 201.9
[M+NH4]+ 393.22849 201.0
[M+K]+ 414.15783 193.3
[M+H-H2O]+ 358.19193 180.5
[M+HCOO]- 420.19287 209.7
[M+CH3COO]- 434.20852 202.2
[M+Na-2H]- 396.16934 196.2
[M]+ 375.19412 192.1
[M]- 375.19522 192.1
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

patents stripe