CID 3023184

1-(4-benzoyl-3-hydroxyphenyl)-2-methyl-2-propen-1-one

Structural Information

Molecular Formula
C17H14O3
SMILES
CC(=C)C(=O)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C17H14O3/c1-11(2)16(19)13-8-9-14(15(18)10-13)17(20)12-6-4-3-5-7-12/h3-10,18H,1H2,2H3
InChIKey
CUFGUPRUGNTBBY-UHFFFAOYSA-N
Compound name
1-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

266.0943 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 159.1
[M+Na]+ 289.083518 165.7
[M-H]- 265.087024 164.6
[M+NH4]+ 284.128123 174.5
[M+K]+ 305.057458 161.8
[M+H-H2O]+ 249.091560 152.0
[M+HCOO]- 311.092501 179.2
[M+CH3COO]- 325.108151 197.1
[M+Na-2H]- 287.068966 160.2
[M]+ 266.09375142 158.6
[M]- 266.09484858 158.6
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

patents stripe