CID 6244236

308101-51-1

Structural Information

Molecular Formula
C19H18ClNO4
SMILES
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(C)C)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H18ClNO4/c1-11-18(25-13-6-4-12(20)5-7-13)17(23)14-8-9-16(22)15(10-21(2)3)19(14)24-11/h4-9,22H,10H2,1-3H3
InChIKey
NDDHGKQXYXMBPZ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenoxy)-8-[(dimethylamino)methyl]-7-hydroxy-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.09244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09972 181.5
[M+Na]+ 382.08166 198.3
[M+NH4]+ 377.12626 189.5
[M+K]+ 398.05560 190.5
[M-H]- 358.08516 188.2
[M+Na-2H]- 380.06711 188.9
[M]+ 359.09189 186.3
[M]- 359.09299 186.3
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.