CID 688763

3-acetyl-7-(diethylamino)-2h-chromen-2-one

Structural Information

Molecular Formula
C15H17NO3
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C
InChI
InChI=1S/C15H17NO3/c1-4-16(5-2)12-7-6-11-8-13(10(3)17)15(18)19-14(11)9-12/h6-9H,4-5H2,1-3H3
InChIKey
JQYDECSZBZCKFQ-UHFFFAOYSA-N
Compound name
3-acetyl-7-(diethylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

314
Patents

259.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.128126 157.6
[M+Na]+ 282.110068 166.1
[M-H]- 258.113574 164.6
[M+NH4]+ 277.154673 174.9
[M+K]+ 298.084008 165.4
[M+H-H2O]+ 242.118110 150.5
[M+HCOO]- 304.119051 180.6
[M+CH3COO]- 318.134701 204.2
[M+Na-2H]- 280.095516 163.0
[M]+ 259.12030142 163.0
[M]- 259.12139858 163.0
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