CID 2313594

37674-86-5

Structural Information

Molecular Formula
C17H14O3
SMILES
COC1=CC=C(C=C1)/C=C/2\COC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14O3/c1-19-14-8-6-12(7-9-14)10-13-11-20-16-5-3-2-4-15(16)17(13)18/h2-10H,11H2,1H3/b13-10+
InChIKey
QTMKMLMMSDDCIP-JLHYYAGUSA-N
Compound name
(3E)-3-[(4-methoxyphenyl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

266.0943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 158.6
[M+Na]+ 289.083518 166.7
[M-H]- 265.087024 166.8
[M+NH4]+ 284.128123 174.7
[M+K]+ 305.057458 163.4
[M+H-H2O]+ 249.091560 150.7
[M+HCOO]- 311.092501 179.0
[M+CH3COO]- 325.108151 196.9
[M+Na-2H]- 287.068966 164.8
[M]+ 266.09375142 159.1
[M]- 266.09484858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe