CID 202729

Dtxsid20927301

Structural Information

Molecular Formula

C₁₆H₁₉N₃O₆

SMILES

CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)O)NC)OC

InChI

InChI=1S/C16H19N3O6/c1-6-12(20)11-9(14(22)15(6)24-3)7(5-25-16(17)23)10-13(21)8(18-2)4-19(10)11/h8,13,18,21H,4-5H2,1-3H3,(H2,17,23)

InChIKey

KEDRKYOEEMEGGD-UHFFFAOYSA-N

Compound name

[3-hydroxy-6-methoxy-7-methyl-2-(methylamino)-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.12738 Da
Monoisotopic Mass: 0.2
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]+	350.134656	176.6
[M+Na]+	372.116598	185.4
[M-H]-	348.120104	180.2
[M+NH4]+	367.161203	193.3
[M+K]+	388.090538	182.9
[M+H-H2O]+	332.124640	171.6
[M+HCOO]-	394.125581	195.8
[M+CH3COO]-	408.141231	219.5
[M+Na-2H]-	370.102046	174.7
[M]+	349.12683142	180.5
[M]-	349.12792858	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.