CID 38753

Brn 1587613

Structural Information

Molecular Formula
C18H15NO3
SMILES
CN(C)C(=O)C1=C(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO3/c1-19(2)17(20)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18(21)22-16/h3-11H,1-2H3
InChIKey
SHCSLUZWAHVEJO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-oxo-4-phenylisochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.112476 166.3
[M+Na]+ 316.094418 174.8
[M-H]- 292.097924 176.5
[M+NH4]+ 311.139023 181.6
[M+K]+ 332.068358 172.9
[M+H-H2O]+ 276.102460 157.7
[M+HCOO]- 338.103401 189.6
[M+CH3COO]- 352.119051 208.5
[M+Na-2H]- 314.079866 172.4
[M]+ 293.10465142 169.9
[M]- 293.10574858 169.9
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.