CID 65686

Moxicoumone

Structural Information

Molecular Formula
C22H30N2O6
SMILES
CC1=CC(=O)OC2=C1C(=CC(=C2)OCCN3CCOCC3)OCCN4CCOCC4
InChI
InChI=1S/C22H30N2O6/c1-17-14-21(25)30-20-16-18(28-12-6-23-2-8-26-9-3-23)15-19(22(17)20)29-13-7-24-4-10-27-11-5-24/h14-16H,2-13H2,1H3
InChIKey
KHVVROKBGPRWFA-UHFFFAOYSA-N
Compound name
4-methyl-5,7-bis(2-morpholin-4-ylethoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

418.2104 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.21768 202.1
[M+Na]+ 441.19962 205.2
[M-H]- 417.20312 209.7
[M+NH4]+ 436.24422 205.3
[M+K]+ 457.17356 205.1
[M+H-H2O]+ 401.20766 189.5
[M+HCOO]- 463.20860 211.5
[M+CH3COO]- 477.22425 224.9
[M+Na-2H]- 439.18507 203.8
[M]+ 418.20985 203.2
[M]- 418.21095 203.2
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

patents stripe