CID 3041756

58492-45-8

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC(C1=CC=CC=C1)C(=O)NC2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H15NO3/c1-12(13-7-3-2-4-8-13)18(21)19-17-11-15(20)14-9-5-6-10-16(14)22-17/h2-12H,1H3,(H,19,21)
InChIKey
UTHSHZYFNYKPTB-UHFFFAOYSA-N
Compound name
N-(4-oxochromen-2-yl)-2-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 166.4
[M+Na]+ 316.09442 173.6
[M-H]- 292.09792 174.8
[M+NH4]+ 311.13902 180.7
[M+K]+ 332.06836 170.8
[M+H-H2O]+ 276.10246 158.0
[M+HCOO]- 338.10340 188.2
[M+CH3COO]- 352.11905 204.9
[M+Na-2H]- 314.07987 172.8
[M]+ 293.10465 167.8
[M]- 293.10575 167.8
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.