CID 3040595

Brn 1497752

Structural Information

Molecular Formula

C₁₆H₁₅NO₅

SMILES

COC1=CC(=O)C2=C(C1=O)C(=C3N2CCC3)COC(=O)C=C

InChI

InChI=1S/C16H15NO5/c1-3-13(19)22-8-9-10-5-4-6-17(10)15-11(18)7-12(21-2)16(20)14(9)15/h3,7H,1,4-6,8H2,2H3

InChIKey

JCLMROXYBVTSAI-UHFFFAOYSA-N

Compound name

(6-methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.09503 Da
Monoisotopic Mass: 2.4
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]+	302.102306	166.9
[M+Na]+	324.084248	176.4
[M-H]-	300.087754	171.5
[M+NH4]+	319.128853	186.6
[M+K]+	340.058188	173.0
[M+H-H2O]+	284.092290	161.6
[M+HCOO]-	346.093231	186.6
[M+CH3COO]-	360.108881	204.3
[M+Na-2H]-	322.069696	166.3
[M]+	301.09448142	171.6
[M]-	301.09557858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.