CID 153725

6h-pyrido(4,3-b)carbazole, 1-((2-aminoethyl)amino)-9-methoxy-5-methyl-, hemihydrate

Structural Information

Molecular Formula

C₁₉H₂₀N₄O

SMILES

CC1=C2C=CN=C(C2=CC3=C1NC4=C3C=C(C=C4)OC)NCCN

InChI

InChI=1S/C19H20N4O/c1-11-13-5-7-21-19(22-8-6-20)16(13)10-15-14-9-12(24-2)3-4-17(14)23-18(11)15/h3-5,7,9-10,23H,6,8,20H2,1-2H3,(H,21,22)

InChIKey

DDCKUULCSVIYPY-UHFFFAOYSA-N

Compound name

N'-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 320.1637 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]+	321.170976	174.1
[M+Na]+	343.152918	185.4
[M-H]-	319.156424	177.6
[M+NH4]+	338.197523	190.1
[M+K]+	359.126858	178.0
[M+H-H2O]+	303.160960	165.7
[M+HCOO]-	365.161901	195.7
[M+CH3COO]-	379.177551	185.4
[M+Na-2H]-	341.138366	181.6
[M]+	320.16315142	177.9
[M]-	320.16424858	177.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.