CID 3058819

75616-56-7

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₄

SMILES

CC1=CC(=O)OC2=C1C=CC3=C2C(=C(O3)C)NC(=O)CN4CCCC4

InChI

InChI=1S/C19H20N2O4/c1-11-9-16(23)25-19-13(11)5-6-14-17(19)18(12(2)24-14)20-15(22)10-21-7-3-4-8-21/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,22)

InChIKey

KSPYGKUELNSFPY-UHFFFAOYSA-N

Compound name

N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-pyrrolidin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.1423 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]+	341.149576	178.8
[M+Na]+	363.131518	188.4
[M-H]-	339.135024	188.5
[M+NH4]+	358.176123	194.0
[M+K]+	379.105458	186.1
[M+H-H2O]+	323.139560	172.3
[M+HCOO]-	385.140501	198.9
[M+CH3COO]-	399.156151	190.9
[M+Na-2H]-	361.116966	180.6
[M]+	340.14175142	184.0
[M]-	340.14284858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.