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 164.7
[M+Na]+ 320.08932 175.3
[M-H]- 296.09282 173.3
[M+NH4]+ 315.13392 181.5
[M+K]+ 336.06326 174.3
[M+H-H2O]+ 280.09736 156.8
[M+HCOO]- 342.09830 188.2
[M+CH3COO]- 356.11395 210.6
[M+Na-2H]- 318.07477 172.4
[M]+ 297.09955 172.6
[M]- 297.10065 172.6
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.