CID 3044960

K 9903

Structural Information

Molecular Formula
C19H19NO4
SMILES
CCN(CC)C1=CC(=O)C2=C(O1)C=CC3=C2C=CC(=C3)C(=O)OC
InChI
InChI=1S/C19H19NO4/c1-4-20(5-2)17-11-15(21)18-14-8-6-13(19(22)23-3)10-12(14)7-9-16(18)24-17/h6-11H,4-5H2,1-3H3
InChIKey
NUGPYGNFAVTMDU-UHFFFAOYSA-N
Compound name
methyl 3-(diethylamino)-1-oxobenzo[f]chromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 173.3
[M+Na]+ 348.12062 188.8
[M+NH4]+ 343.16522 181.2
[M+K]+ 364.09456 181.6
[M-H]- 324.12412 178.5
[M+Na-2H]- 346.10607 179.5
[M]+ 325.13085 177.1
[M]- 325.13195 177.1
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.