CID 3066663

2-(2-(dibenzylamino)ethyl)-1-(3-pyridyl)-1,2,3,4-tetrahydro-beta-carboline

Structural Information

Molecular Formula
C32H32N4
SMILES
C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCN(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C32H32N4/c1-3-10-25(11-4-1)23-35(24-26-12-5-2-6-13-26)20-21-36-19-17-29-28-15-7-8-16-30(28)34-31(29)32(36)27-14-9-18-33-22-27/h1-16,18,22,32,34H,17,19-21,23-24H2
InChIKey
DGXQXOIOSKMRTD-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.2627 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.26998 221.2
[M+Na]+ 495.25192 238.9
[M+NH4]+ 490.29652 229.9
[M+K]+ 511.22586 228.1
[M-H]- 471.25542 231.1
[M+Na-2H]- 493.23737 232.8
[M]+ 472.26215 226.9
[M]- 472.26325 226.9
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.