CID 9949202

Refchem:883677

Structural Information

Molecular Formula

C₁₉H₁₉NO₄

SMILES

CCCCOC(=O)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

InChI

InChI=1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)

InChIKey

RQBUXEUMZZQUFY-UHFFFAOYSA-N

Compound name

butyl N-(9H-xanthene-9-carbonyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 26
Patents: 325.1314 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]+	326.138676	175.1
[M+Na]+	348.120618	180.7
[M-H]-	324.124124	180.3
[M+NH4]+	343.165223	189.3
[M+K]+	364.094558	178.5
[M+H-H2O]+	308.128660	166.9
[M+HCOO]-	370.129601	193.6
[M+CH3COO]-	384.145251	210.8
[M+Na-2H]-	346.106066	180.8
[M]+	325.13085142	178.0
[M]-	325.13194858	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe