CID 3059066

Brn 5558142

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CCC12C3=NC4=CC=CC=C4N3CC(O1)CO2

InChI

InChI=1S/C13H14N2O2/c1-2-13-12-14-10-5-3-4-6-11(10)15(12)7-9(17-13)8-16-13/h3-6,9H,2,7-8H2,1H3

InChIKey

BQCFINLVOCMUGS-UHFFFAOYSA-N

Compound name

1-ethyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.10553 Da
Monoisotopic Mass: 1.4
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]+	231.112806	146.9
[M+Na]+	253.094748	158.0
[M-H]-	229.098254	150.9
[M+NH4]+	248.139353	169.0
[M+K]+	269.068688	156.2
[M+H-H2O]+	213.102790	140.6
[M+HCOO]-	275.103731	163.9
[M+CH3COO]-	289.119381	160.4
[M+Na-2H]-	251.080196	155.1
[M]+	230.10498142	151.2
[M]-	230.10607858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.