CID 688125

104145-34-8

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C18H15NO3/c1-12-9-18(21)22-16-11-14(7-8-15(12)16)19-17(20)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,19,20)
InChIKey
UQUMDDZAFRUNFQ-UHFFFAOYSA-N
Compound name
N-(4-methyl-2-oxochromen-7-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
Patents

293.1052 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 166.4
[M+Na]+ 316.09442 174.9
[M-H]- 292.09792 175.2
[M+NH4]+ 311.13902 181.2
[M+K]+ 332.06836 171.6
[M+H-H2O]+ 276.10246 158.0
[M+HCOO]- 338.10340 189.3
[M+CH3COO]- 352.11905 205.2
[M+Na-2H]- 314.07987 173.3
[M]+ 293.10465 168.9
[M]- 293.10575 168.9
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.