CID 218338

40498-88-2

Structural Information

Molecular Formula
C23H30N2
SMILES
C1CCN2CCN(CCC2C1)CC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H30N2/c1-3-9-20(10-4-1)23(21-11-5-2-6-12-21)19-24-16-14-22-13-7-8-15-25(22)18-17-24/h1-6,9-12,22-23H,7-8,13-19H2
InChIKey
QNQJCPVHNZVYDS-UHFFFAOYSA-N
Compound name
3-(2,2-diphenylethyl)-2,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][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]+ 335.248176 183.7
[M+Na]+ 357.230118 183.9
[M-H]- 333.233624 189.6
[M+NH4]+ 352.274723 193.4
[M+K]+ 373.204058 181.4
[M+H-H2O]+ 317.238160 172.9
[M+HCOO]- 379.239101 194.9
[M+CH3COO]- 393.254751 190.1
[M+Na-2H]- 355.215566 184.8
[M]+ 334.24035142 172.7
[M]- 334.24144858 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

literature stripe

Patent stripe

No patent data available for this compound.