CID 215673

Octahydro-2-(diphenylmethyl)-2h-pyrido(1,2-a)pyrazine

Structural Information

Molecular Formula
C21H26N2
SMILES
C1CCN2CCN(CC2C1)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H26N2/c1-3-9-18(10-4-1)21(19-11-5-2-6-12-19)23-16-15-22-14-8-7-13-20(22)17-23/h1-6,9-12,20-21H,7-8,13-17H2
InChIKey
UMBVQXYCGYSJNT-UHFFFAOYSA-N
Compound name
2-benzhydryl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 175.5
[M+Na]+ 329.19882 176.9
[M-H]- 305.20232 180.4
[M+NH4]+ 324.24342 186.8
[M+K]+ 345.17276 170.8
[M+H-H2O]+ 289.20686 163.5
[M+HCOO]- 351.20780 187.3
[M+CH3COO]- 365.22345 182.8
[M+Na-2H]- 327.18427 178.0
[M]+ 306.20905 166.1
[M]- 306.21015 166.1
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