CID 4329619

157673-16-0

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₃

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C14H14N4O3/c1-3-18(4-2)10-6-5-9-7-11(13(19)16-17-15)14(20)21-12(9)8-10/h5-8H,3-4H2,1-2H3

InChIKey

FJIQMYGHCNXCHE-UHFFFAOYSA-N

Compound name

7-(diethylamino)-2-oxochromene-3-carbonyl azide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 39
Patents: 286.1066 Da
Monoisotopic Mass: 3.8
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]+	287.11388	163.7
[M+Na]+	309.09582	170.7
[M-H]-	285.09932	173.0
[M+NH4]+	304.14042	179.5
[M+K]+	325.06976	165.7
[M+H-H2O]+	269.10386	159.6
[M+HCOO]-	331.10480	193.4
[M+CH3COO]-	345.12045	210.3
[M+Na-2H]-	307.08127	173.3
[M]+	286.10605	166.2
[M]-	286.10715	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe