CID 399540

Nsc710404

Structural Information

Molecular Formula

C₂₁H₂₀N₂O₄

SMILES

COC1=CC(=CC(=C1OC)OC)OCC2=NC3=CC=CC=C3N4C2=CC=C4

InChI

InChI=1S/C21H20N2O4/c1-24-19-11-14(12-20(25-2)21(19)26-3)27-13-16-18-9-6-10-23(18)17-8-5-4-7-15(17)22-16/h4-12H,13H2,1-3H3

InChIKey

BEJCRZZFAIBPOP-UHFFFAOYSA-N

Compound name

4-[(3,4,5-trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 364.1423 Da
Monoisotopic Mass: 4.3
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]+	365.149576	186.6
[M+Na]+	387.131518	197.4
[M-H]-	363.135024	193.6
[M+NH4]+	382.176123	200.4
[M+K]+	403.105458	192.8
[M+H-H2O]+	347.139560	176.5
[M+HCOO]-	409.140501	208.0
[M+CH3COO]-	423.156151	198.0
[M+Na-2H]-	385.116966	191.3
[M]+	364.14175142	196.0
[M]-	364.14284858	196.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.