CID 116324

64039-16-3

Structural Information

Molecular Formula
C16H19NO5
SMILES
COC1=CC(=CC(=C1OCC#C)OC)C(=O)N2CCOCC2
InChI
InChI=1S/C16H19NO5/c1-4-7-22-15-13(19-2)10-12(11-14(15)20-3)16(18)17-5-8-21-9-6-17/h1,10-11H,5-9H2,2-3H3
InChIKey
LIXMSOANBQIHKN-UHFFFAOYSA-N
Compound name
(3,5-dimethoxy-4-prop-2-ynoxyphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1263 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 164.0
[M+Na]+ 328.11552 172.1
[M-H]- 304.11902 167.0
[M+NH4]+ 323.16012 174.4
[M+K]+ 344.08946 169.6
[M+H-H2O]+ 288.12356 149.5
[M+HCOO]- 350.12450 176.3
[M+CH3COO]- 364.14015 209.2
[M+Na-2H]- 326.10097 165.4
[M]+ 305.12575 161.1
[M]- 305.12685 161.1
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.