CID 3044959

1h-naphtho(2,1-b)pyran-8-carboxylic acid, 3-(dimethylamino)-1-oxo-, methyl ester

Structural Information

Molecular Formula
C17H15NO4
SMILES
CN(C)C1=CC(=O)C2=C(O1)C=CC3=C2C=CC(=C3)C(=O)OC
InChI
InChI=1S/C17H15NO4/c1-18(2)15-9-13(19)16-12-6-4-11(17(20)21-3)8-10(12)5-7-14(16)22-15/h4-9H,1-3H3
InChIKey
UDIWOLAOFJAOIY-UHFFFAOYSA-N
Compound name
methyl 3-(dimethylamino)-1-oxobenzo[f]chromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 164.1
[M+Na]+ 320.08932 180.0
[M+NH4]+ 315.13392 172.3
[M+K]+ 336.06326 173.3
[M-H]- 296.09282 169.3
[M+Na-2H]- 318.07477 170.9
[M]+ 297.09955 168.0
[M]- 297.10065 168.0
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.

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No patent data available for this compound.