CID 218339

40498-89-3

Structural Information

Molecular Formula
C23H30N2
SMILES
C1CCN2CCCN(CC2C1)CC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H30N2/c1-3-10-20(11-4-1)23(21-12-5-2-6-13-21)19-24-15-9-17-25-16-8-7-14-22(25)18-24/h1-6,10-13,22-23H,7-9,14-19H2
InChIKey
DXKAJQPOWLPUKL-UHFFFAOYSA-N
Compound name
2-(2,2-diphenylethyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2409 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24818 183.7
[M+Na]+ 357.23012 183.9
[M-H]- 333.23362 189.6
[M+NH4]+ 352.27472 193.4
[M+K]+ 373.20406 181.4
[M+H-H2O]+ 317.23816 172.9
[M+HCOO]- 379.23910 194.9
[M+CH3COO]- 393.25475 190.1
[M+Na-2H]- 355.21557 184.8
[M]+ 334.24035 172.7
[M]- 334.24145 172.7
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

No patent data available for this compound.