CID 49457

67195-65-7

Structural Information

Molecular Formula
C19H25NO4
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CN3CCOCC3)OC)CC
InChI
InChI=1S/C19H25NO4/c1-4-13-16(5-2)24-19-14(18(13)21)6-7-17(22-3)15(19)12-20-8-10-23-11-9-20/h6-7H,4-5,8-12H2,1-3H3
InChIKey
AQIVGTGJGIMLEF-UHFFFAOYSA-N
Compound name
2,3-diethyl-7-methoxy-8-(morpholin-4-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.17834 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18562 180.5
[M+Na]+ 354.16756 188.1
[M-H]- 330.17106 187.7
[M+NH4]+ 349.21216 191.7
[M+K]+ 370.14150 186.6
[M+H-H2O]+ 314.17560 171.2
[M+HCOO]- 376.17654 196.2
[M+CH3COO]- 390.19219 212.3
[M+Na-2H]- 352.15301 183.6
[M]+ 331.17779 184.4
[M]- 331.17889 184.4
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.