CID 3047880

63868-53-1

Structural Information

Molecular Formula
C18H27NO5
SMILES
CCCCC1CN(CCO1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H27NO5/c1-5-6-7-14-12-19(8-9-24-14)18(20)13-10-15(21-2)17(23-4)16(11-13)22-3/h10-11,14H,5-9,12H2,1-4H3
InChIKey
AGZZSYBKBFWEHV-UHFFFAOYSA-N
Compound name
(2-butylmorpholin-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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19621 181.1
[M+Na]+ 360.17815 186.3
[M-H]- 336.18165 186.4
[M+NH4]+ 355.22275 192.2
[M+K]+ 376.15209 185.9
[M+H-H2O]+ 320.18619 172.1
[M+HCOO]- 382.18713 197.8
[M+CH3COO]- 396.20278 212.3
[M+Na-2H]- 358.16360 181.1
[M]+ 337.18838 185.9
[M]- 337.18948 185.9
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.