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 215.3
[M+Na]+ 495.25192 218.8
[M-H]- 471.25542 223.8
[M+NH4]+ 490.29652 220.6
[M+K]+ 511.22586 208.7
[M+H-H2O]+ 455.25996 200.5
[M+HCOO]- 517.26090 229.9
[M+CH3COO]- 531.27655 220.8
[M+Na-2H]- 493.23737 217.4
[M]+ 472.26215 212.4
[M]- 472.26325 212.4
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.