CID 37888

38035-27-7

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCOC1=C(C2=C(C=C1)C(=O)C(=C(O2)C)C)CN(C)C
InChI
InChI=1S/C16H21NO3/c1-6-19-14-8-7-12-15(18)10(2)11(3)20-16(12)13(14)9-17(4)5/h7-8H,6,9H2,1-5H3
InChIKey
QISHCBPOCYMVCQ-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-7-ethoxy-2,3-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 163.2
[M+Na]+ 298.141348 173.1
[M-H]- 274.144854 170.7
[M+NH4]+ 293.185953 180.6
[M+K]+ 314.115288 172.3
[M+H-H2O]+ 258.149390 156.1
[M+HCOO]- 320.150331 186.6
[M+CH3COO]- 334.165981 209.6
[M+Na-2H]- 296.126796 167.8
[M]+ 275.15158142 171.1
[M]- 275.15267858 171.1
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.