CID 9820908

Diethyl (6-chloro-9h-carbazol-2-yl)methylmalonate

Structural Information

Molecular Formula

C₂₀H₂₀ClNO₄

SMILES

CCOC(=O)C(C)(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)OCC

InChI

InChI=1S/C20H20ClNO4/c1-4-25-18(23)20(3,19(24)26-5-2)12-6-8-14-15-11-13(21)7-9-16(15)22-17(14)10-12/h6-11,22H,4-5H2,1-3H3

InChIKey

VCWSZWDBRMAJJJ-UHFFFAOYSA-N

Compound name

diethyl 2-(6-chloro-9H-carbazol-2-yl)-2-methylpropanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 31
Patents: 373.1081 Da
Monoisotopic Mass: 5.0
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]+	374.115376	188.3
[M+Na]+	396.097318	197.5
[M-H]-	372.100824	191.5
[M+NH4]+	391.141923	203.5
[M+K]+	412.071258	191.9
[M+H-H2O]+	356.105360	182.2
[M+HCOO]-	418.106301	201.0
[M+CH3COO]-	432.121951	213.6
[M+Na-2H]-	394.082766	191.0
[M]+	373.10755142	196.3
[M]-	373.10864858	196.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe