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]+ 338.196206 181.1
[M+Na]+ 360.178148 186.3
[M-H]- 336.181654 186.4
[M+NH4]+ 355.222753 192.2
[M+K]+ 376.152088 185.9
[M+H-H2O]+ 320.186190 172.1
[M+HCOO]- 382.187131 197.8
[M+CH3COO]- 396.202781 212.3
[M+Na-2H]- 358.163596 181.1
[M]+ 337.18838142 185.9
[M]- 337.18947858 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.