CID 37890

Rec 7/0268

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C
InChI
InChI=1S/C15H19NO3/c1-9-10(2)19-15-11(14(9)17)6-7-13(18-5)12(15)8-16(3)4/h6-7H,8H2,1-5H3
InChIKey
HIUYLRVXBVDVRK-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-7-methoxy-2,3-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 158.3
[M+Na]+ 284.125718 168.7
[M-H]- 260.129224 166.0
[M+NH4]+ 279.170323 176.3
[M+K]+ 300.099658 168.1
[M+H-H2O]+ 244.133760 151.4
[M+HCOO]- 306.134701 182.1
[M+CH3COO]- 320.150351 206.6
[M+Na-2H]- 282.111166 163.5
[M]+ 261.13595142 165.8
[M]- 261.13704858 165.8
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.