CID 201166

3380-62-9

Structural Information

Molecular Formula

C₁₉H₂₁N₃

SMILES

CN(C)C1=CC=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3

InChI

InChI=1S/C19H21N3/c1-22(2)14-9-7-13(8-10-14)18-19-16(11-12-20-18)15-5-3-4-6-17(15)21-19/h3-10,18,20-21H,11-12H2,1-2H3

InChIKey

OHXAAMBDNQSPCS-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 30
Patents: 291.17355 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.180826	168.2
[M+Na]+	314.162768	175.5
[M-H]-	290.166274	172.7
[M+NH4]+	309.207373	183.8
[M+K]+	330.136708	168.5
[M+H-H2O]+	274.170810	159.2
[M+HCOO]-	336.171751	185.6
[M+CH3COO]-	350.187401	178.4
[M+Na-2H]-	312.148216	172.6
[M]+	291.17300142	165.0
[M]-	291.17409858	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe