CID 115715

64039-11-8

Structural Information

Molecular Formula
C15H21NO5
SMILES
CC1CN(CCO1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H21NO5/c1-10-9-16(5-6-21-10)15(17)11-7-12(18-2)14(20-4)13(8-11)19-3/h7-8,10H,5-6,9H2,1-4H3
InChIKey
OQMZACWEAYWJPV-UHFFFAOYSA-N
Compound name
(2-methylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14925 167.2
[M+Na]+ 318.13119 173.8
[M-H]- 294.13469 173.1
[M+NH4]+ 313.17579 180.1
[M+K]+ 334.10513 174.1
[M+H-H2O]+ 278.13923 158.8
[M+HCOO]- 340.14017 184.9
[M+CH3COO]- 354.15582 203.4
[M+Na-2H]- 316.11664 168.8
[M]+ 295.14142 171.0
[M]- 295.14252 171.0
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