CID 54684422

Dehydrowarfarin

Structural Information

Molecular Formula
C19H14O4
SMILES
CC(=O)/C=C(\C1=CC=CC=C1)/C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C19H14O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-11,21H,1H3/b15-11+
InChIKey
SWIPQYPHTPMNLK-RVDMUPIBSA-N
Compound name
4-hydroxy-3-[(E)-3-oxo-1-phenylbut-1-enyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

10
Patents

306.0892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09648 168.6
[M+Na]+ 329.07842 176.9
[M-H]- 305.08192 176.0
[M+NH4]+ 324.12302 182.2
[M+K]+ 345.05236 173.2
[M+H-H2O]+ 289.08646 160.7
[M+HCOO]- 351.08740 188.0
[M+CH3COO]- 365.10305 203.2
[M+Na-2H]- 327.06387 173.0
[M]+ 306.08865 170.4
[M]- 306.08975 170.4
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.