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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 175.0
[M+Na]+ 329.14718 180.0
[M-H]- 305.15068 182.2
[M+NH4]+ 324.19178 183.9
[M+K]+ 345.12112 179.0
[M+H-H2O]+ 289.15522 164.8
[M+HCOO]- 351.15616 186.4
[M+CH3COO]- 365.17181 205.3
[M+Na-2H]- 327.13263 174.8
[M]+ 306.15741 170.6
[M]- 306.15851 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.