CID 3067230

80916-88-7

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₄

SMILES

C=CCOCCOC1=CC=CC2=C1OC(=O)C(=C2)C3=NNN=N3

InChI

InChI=1S/C15H14N4O4/c1-2-6-21-7-8-22-12-5-3-4-10-9-11(14-16-18-19-17-14)15(20)23-13(10)12/h2-5,9H,1,6-8H2,(H,16,17,18,19)

InChIKey

CJMQNDLHXVWERS-UHFFFAOYSA-N

Compound name

8-(2-prop-2-enoxyethoxy)-3-(2H-tetrazol-5-yl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 314.1015 Da
Monoisotopic Mass: 1.6
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]+	315.108776	170.0
[M+Na]+	337.090718	180.9
[M-H]-	313.094224	172.5
[M+NH4]+	332.135323	179.7
[M+K]+	353.064658	176.3
[M+H-H2O]+	297.098760	159.7
[M+HCOO]-	359.099701	189.1
[M+CH3COO]-	373.115351	180.9
[M+Na-2H]-	335.076166	176.3
[M]+	314.10095142	176.3
[M]-	314.10204858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe