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]+ 294.112476 166.4
[M+Na]+ 316.094418 174.9
[M-H]- 292.097924 175.2
[M+NH4]+ 311.139023 181.2
[M+K]+ 332.068358 171.6
[M+H-H2O]+ 276.102460 158.0
[M+HCOO]- 338.103401 189.3
[M+CH3COO]- 352.119051 205.2
[M+Na-2H]- 314.079866 173.3
[M]+ 293.10465142 168.9
[M]- 293.10574858 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

literature stripe

Patent stripe

patents stripe