CID 336021

72744-93-5

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₄

SMILES

CC1=C(C(=C(C(=O)C1=O)C)N2CCOCC2)N3CCOCC3

InChI

InChI=1S/C16H22N2O4/c1-11-13(17-3-7-21-8-4-17)14(12(2)16(20)15(11)19)18-5-9-22-10-6-18/h3-10H2,1-2H3

InChIKey

NGXHJLXTUYWSDS-UHFFFAOYSA-N

Compound name

3,6-dimethyl-4,5-dimorpholin-4-ylcyclohexa-3,5-diene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 306.15796 Da
Monoisotopic Mass: 0.0
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]+	307.165236	175.0
[M+Na]+	329.147178	180.0
[M-H]-	305.150684	182.2
[M+NH4]+	324.191783	183.9
[M+K]+	345.121118	179.0
[M+H-H2O]+	289.155220	164.8
[M+HCOO]-	351.156161	186.4
[M+CH3COO]-	365.171811	205.3
[M+Na-2H]-	327.132626	174.8
[M]+	306.15741142	170.6
[M]-	306.15850858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe