CID 42399

6,7-dihydro-n,n-dibenzyl-indolo(1,7-ab)(1)benzazepine-1-ethanamine hydrochloride

Structural Information

Molecular Formula
C32H30N2
SMILES
C1CC2=CC=CC3=C2N(C4=CC=CC=C41)C(=C3)CCN(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C32H30N2/c1-3-10-25(11-4-1)23-33(24-26-12-5-2-6-13-26)21-20-30-22-29-16-9-15-28-19-18-27-14-7-8-17-31(27)34(30)32(28)29/h1-17,22H,18-21,23-24H2
InChIKey
PUCRVFBKKHRWSW-UHFFFAOYSA-N
Compound name
2-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)-N,N-dibenzylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

442.2409 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24818 216.0
[M+Na]+ 465.23012 221.5
[M-H]- 441.23362 227.6
[M+NH4]+ 460.27472 227.7
[M+K]+ 481.20406 216.0
[M+H-H2O]+ 425.23816 206.5
[M+HCOO]- 487.23910 234.6
[M+CH3COO]- 501.25475 223.8
[M+Na-2H]- 463.21557 219.0
[M]+ 442.24035 215.7
[M]- 442.24145 215.7
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

patents stripe