CID 2828082

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

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C=O)Cl
InChI
InChI=1S/C14H14ClNO3/c1-3-16(4-2)9-5-6-10-12(7-9)19-14(18)11(8-17)13(10)15/h5-8H,3-4H2,1-2H3
InChIKey
CYXXVTLWYIGJJW-UHFFFAOYSA-N
Compound name
4-chloro-7-(diethylamino)-2-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

279.06622 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 159.5
[M+Na]+ 302.05544 170.5
[M-H]- 278.05894 166.8
[M+NH4]+ 297.10004 177.3
[M+K]+ 318.02938 167.7
[M+H-H2O]+ 262.06348 153.5
[M+HCOO]- 324.06442 179.3
[M+CH3COO]- 338.08007 205.2
[M+Na-2H]- 300.04089 165.4
[M]+ 279.06567 167.8
[M]- 279.06677 167.8
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