CID 115717

64039-17-4

Structural Information

Molecular Formula
C17H25NO5
SMILES
CCCC1CN(CCO1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H25NO5/c1-5-6-13-11-18(7-8-23-13)17(19)12-9-14(20-2)16(22-4)15(10-12)21-3/h9-10,13H,5-8,11H2,1-4H3
InChIKey
WNGGYWHPKIGMDH-UHFFFAOYSA-N
Compound name
(2-propylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.180556 176.5
[M+Na]+ 346.162498 182.2
[M-H]- 322.166004 182.0
[M+NH4]+ 341.207103 188.2
[M+K]+ 362.136438 182.0
[M+H-H2O]+ 306.170540 167.7
[M+HCOO]- 368.171481 193.5
[M+CH3COO]- 382.187131 209.3
[M+Na-2H]- 344.147946 177.0
[M]+ 323.17273142 180.9
[M]- 323.17382858 180.9
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.