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]+ 360.099716 182.4
[M+Na]+ 382.081658 193.2
[M-H]- 358.085164 191.8
[M+NH4]+ 377.126263 196.1
[M+K]+ 398.055598 189.8
[M+H-H2O]+ 342.089700 174.7
[M+HCOO]- 404.090641 200.2
[M+CH3COO]- 418.106291 219.2
[M+Na-2H]- 380.067106 186.1
[M]+ 359.09189142 191.1
[M]- 359.09298858 191.1
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.