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]+ 294.112476 166.4
[M+Na]+ 316.094418 173.6
[M-H]- 292.097924 174.8
[M+NH4]+ 311.139023 180.7
[M+K]+ 332.068358 170.8
[M+H-H2O]+ 276.102460 158.0
[M+HCOO]- 338.103401 188.2
[M+CH3COO]- 352.119051 204.9
[M+Na-2H]- 314.079866 172.8
[M]+ 293.10465142 167.8
[M]- 293.10574858 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.