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]+ 298.107376 164.7
[M+Na]+ 320.089318 175.3
[M-H]- 296.092824 173.3
[M+NH4]+ 315.133923 181.5
[M+K]+ 336.063258 174.3
[M+H-H2O]+ 280.097360 156.8
[M+HCOO]- 342.098301 188.2
[M+CH3COO]- 356.113951 210.6
[M+Na-2H]- 318.074766 172.4
[M]+ 297.09955142 172.6
[M]- 297.10064858 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.