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 174.6
[M+Na]+ 348.12062 184.2
[M-H]- 324.12412 182.7
[M+NH4]+ 343.16522 190.2
[M+K]+ 364.09456 182.7
[M+H-H2O]+ 308.12866 166.2
[M+HCOO]- 370.12960 197.3
[M+CH3COO]- 384.14525 216.5
[M+Na-2H]- 346.10607 181.0
[M]+ 325.13085 183.0
[M]- 325.13195 183.0
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.

Patent stripe

No patent data available for this compound.