CID 11948659

220662-26-0

Structural Information

Molecular Formula
C19H20O3
SMILES
CC(C)OC(=O)C(C)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H20O3/c1-13(2)22-19(21)14(3)16-10-7-11-17(12-16)18(20)15-8-5-4-6-9-15/h4-14H,1-3H3
InChIKey
IXHQKBLIJOIESQ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(3-benzoylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

296.14124 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 170.1
[M+Na]+ 319.13046 174.8
[M-H]- 295.13396 176.3
[M+NH4]+ 314.17506 184.6
[M+K]+ 335.10440 172.4
[M+H-H2O]+ 279.13850 162.2
[M+HCOO]- 341.13944 189.8
[M+CH3COO]- 355.15509 205.4
[M+Na-2H]- 317.11591 170.0
[M]+ 296.14069 171.7
[M]- 296.14179 171.7
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