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 182.4
[M+Na]+ 382.08166 193.2
[M-H]- 358.08516 191.8
[M+NH4]+ 377.12626 196.1
[M+K]+ 398.05560 189.8
[M+H-H2O]+ 342.08970 174.7
[M+HCOO]- 404.09064 200.2
[M+CH3COO]- 418.10629 219.2
[M+Na-2H]- 380.06711 186.1
[M]+ 359.09189 191.1
[M]- 359.09299 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.