CID 217583

38943-51-0

Structural Information

Molecular Formula
C15H21NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCCCO2
InChI
InChI=1S/C15H21NO5/c1-18-12-9-11(10-13(19-2)14(12)20-3)15(17)16-7-5-4-6-8-21-16/h9-10H,4-8H2,1-3H3
InChIKey
MMBKLVFHUYWVND-UHFFFAOYSA-N
Compound name
oxazepan-2-yl-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.14197 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.149246 162.3
[M+Na]+ 318.131188 166.3
[M-H]- 294.134694 168.8
[M+NH4]+ 313.175793 174.0
[M+K]+ 334.105128 171.5
[M+H-H2O]+ 278.139230 154.4
[M+HCOO]- 340.140171 179.5
[M+CH3COO]- 354.155821 202.6
[M+Na-2H]- 316.116636 164.5
[M]+ 295.14142142 162.3
[M]- 295.14251858 162.3
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.