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]+ 263.10265 155.8
[M+Na]+ 285.08459 163.4
[M-H]- 261.08809 162.7
[M+NH4]+ 280.12919 171.9
[M+K]+ 301.05853 158.9
[M+H-H2O]+ 245.09263 153.0
[M+HCOO]- 307.09357 181.0
[M+CH3COO]- 321.10922 197.4
[M+Na-2H]- 283.07004 164.6
[M]+ 262.09482 159.0
[M]- 262.09592 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.