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]+ 324.18056 176.5
[M+Na]+ 346.16250 182.2
[M-H]- 322.16600 182.0
[M+NH4]+ 341.20710 188.2
[M+K]+ 362.13644 182.0
[M+H-H2O]+ 306.17054 167.7
[M+HCOO]- 368.17148 193.5
[M+CH3COO]- 382.18713 209.3
[M+Na-2H]- 344.14795 177.0
[M]+ 323.17273 180.9
[M]- 323.17383 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.