CID 39686

50527-31-6

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CCN(CC)C1=C(C(=O)OC2=CC=CC=C21)[N+](=O)[O-]
InChI
InChI=1S/C13H14N2O4/c1-3-14(4-2)11-9-7-5-6-8-10(9)19-13(16)12(11)15(17)18/h5-8H,3-4H2,1-2H3
InChIKey
ZFKKSGSQPHNBNR-UHFFFAOYSA-N
Compound name
4-(diethylamino)-3-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

262.09537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.102646 155.8
[M+Na]+ 285.084588 163.4
[M-H]- 261.088094 162.7
[M+NH4]+ 280.129193 171.9
[M+K]+ 301.058528 158.9
[M+H-H2O]+ 245.092630 153.0
[M+HCOO]- 307.093571 181.0
[M+CH3COO]- 321.109221 197.4
[M+Na-2H]- 283.070036 164.6
[M]+ 262.09482142 159.0
[M]- 262.09591858 159.0
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

No patent data available for this compound.