CID 215674

Brn 0623194

Structural Information

Molecular Formula
C21H25ClN2
SMILES
C1CCN2CCN(CC2C1)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H25ClN2/c22-19-11-9-18(10-12-19)21(17-6-2-1-3-7-17)24-15-14-23-13-5-4-8-20(23)16-24/h1-3,6-7,9-12,20-21H,4-5,8,13-16H2
InChIKey
WBPKJZVIQGACKP-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)-phenylmethyl]-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

340.17062 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17790 182.7
[M+Na]+ 363.15984 185.9
[M-H]- 339.16334 187.7
[M+NH4]+ 358.20444 193.8
[M+K]+ 379.13378 178.3
[M+H-H2O]+ 323.16788 171.1
[M+HCOO]- 385.16882 189.9
[M+CH3COO]- 399.18447 189.9
[M+Na-2H]- 361.14529 183.9
[M]+ 340.17007 176.1
[M]- 340.17117 176.1
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