CID 143191

7-(diethylamino)-2-oxo-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C14H15NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C=O
InChI
InChI=1S/C14H15NO3/c1-3-15(4-2)12-6-5-10-7-11(9-16)14(17)18-13(10)8-12/h5-9H,3-4H2,1-2H3
InChIKey
HWQSZPUCHJKWLS-UHFFFAOYSA-N
Compound name
7-(diethylamino)-2-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

256
Patents

245.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 152.6
[M+Na]+ 268.09442 161.9
[M-H]- 244.09792 159.8
[M+NH4]+ 263.13902 170.6
[M+K]+ 284.06836 160.9
[M+H-H2O]+ 228.10246 145.6
[M+HCOO]- 290.10340 177.0
[M+CH3COO]- 304.11905 200.3
[M+Na-2H]- 266.07987 159.8
[M]+ 245.10465 158.3
[M]- 245.10575 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe