CID 2818432

Chembl4871324

Structural Information

Molecular Formula

C₁₉H₂₀Cl₂N₂O

SMILES

C1CCN(C1)CC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O

InChI

InChI=1S/C19H20Cl2N2O/c20-13-3-5-18-16(9-13)17-10-14(21)4-6-19(17)23(18)12-15(24)11-22-7-1-2-8-22/h3-6,9-10,15,24H,1-2,7-8,11-12H2

InChIKey

VXMFEHUNDKFMOF-UHFFFAOYSA-N

Compound name

1-(3,6-dichlorocarbazol-9-yl)-3-pyrrolidin-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 362.09528 Da
Monoisotopic Mass: 4.4
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]+	363.10256	186.4
[M+Na]+	385.08450	196.1
[M-H]-	361.08800	190.3
[M+NH4]+	380.12910	202.7
[M+K]+	401.05844	187.7
[M+H-H2O]+	345.09254	178.7
[M+HCOO]-	407.09348	193.8
[M+CH3COO]-	421.10913	196.0
[M+Na-2H]-	383.06995	184.6
[M]+	362.09473	189.7
[M]-	362.09583	189.7

Literature stripe

literature stripe

Patent stripe

patents stripe