CID 3044967

Brn 1657030

Structural Information

Molecular Formula

C₁₈H₁₇NO₄

SMILES

CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C18H17NO4/c1-3-19(4-2)16-10-14(20)17-13-7-5-12(18(21)22)9-11(13)6-8-15(17)23-16/h5-10H,3-4H2,1-2H3,(H,21,22)

InChIKey

HFASGPGUDPHYRQ-UHFFFAOYSA-N

Compound name

3-(diethylamino)-1-oxobenzo[f]chromene-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.11575 Da
Monoisotopic Mass: 3.4
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]+	312.123026	169.7
[M+Na]+	334.104968	179.3
[M-H]-	310.108474	176.6
[M+NH4]+	329.149573	185.1
[M+K]+	350.078908	177.1
[M+H-H2O]+	294.113010	161.8
[M+HCOO]-	356.113951	191.2
[M+CH3COO]-	370.129601	211.8
[M+Na-2H]-	332.090416	176.3
[M]+	311.11520142	176.1
[M]-	311.11629858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.