CID 3047887

2,3-dimethyl-5-ethyl-4-(3,4,5-trimethoxybenzoyl)morpholine

Structural Information

Molecular Formula
C18H27NO5
SMILES
CCC1COC(C(N1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C)C
InChI
InChI=1S/C18H27NO5/c1-7-14-10-24-12(3)11(2)19(14)18(20)13-8-15(21-4)17(23-6)16(9-13)22-5/h8-9,11-12,14H,7,10H2,1-6H3
InChIKey
HBDGEZMTNYIFTC-UHFFFAOYSA-N
Compound name
(5-ethyl-2,3-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19621 180.3
[M+Na]+ 360.17815 187.4
[M-H]- 336.18165 186.4
[M+NH4]+ 355.22275 192.1
[M+K]+ 376.15209 187.1
[M+H-H2O]+ 320.18619 171.9
[M+HCOO]- 382.18713 197.0
[M+CH3COO]- 396.20278 215.0
[M+Na-2H]- 358.16360 179.1
[M]+ 337.18838 186.0
[M]- 337.18948 186.0
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

No patent data available for this compound.