CID 598811

6650-04-0

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

CC(C)C1C2=C(CCN1)C3=CC=CC=C3N2

InChI

InChI=1S/C14H18N2/c1-9(2)13-14-11(7-8-15-13)10-5-3-4-6-12(10)16-14/h3-6,9,13,15-16H,7-8H2,1-2H3

InChIKey

ANFOWSMYMVVVLD-UHFFFAOYSA-N

Compound name

1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 214.147 Da
Monoisotopic Mass: 2.9
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]+	215.154276	149.8
[M+Na]+	237.136218	157.6
[M-H]-	213.139724	149.7
[M+NH4]+	232.180823	168.5
[M+K]+	253.110158	151.6
[M+H-H2O]+	197.144260	142.8
[M+HCOO]-	259.145201	165.1
[M+CH3COO]-	273.160851	160.8
[M+Na-2H]-	235.121666	154.1
[M]+	214.14645142	145.9
[M]-	214.14754858	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe