CID 348699

7509-66-2

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CCN(CC)C1=C(C=C2C(=CC(=O)OC2=C1)C)[N+](=O)[O-]
InChI
InChI=1S/C14H16N2O4/c1-4-15(5-2)11-8-13-10(7-12(11)16(18)19)9(3)6-14(17)20-13/h6-8H,4-5H2,1-3H3
InChIKey
RPHZWYXIPSLSCG-UHFFFAOYSA-N
Compound name
7-(diethylamino)-4-methyl-6-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 160.6
[M+Na]+ 299.10022 168.7
[M-H]- 275.10372 167.7
[M+NH4]+ 294.14482 176.4
[M+K]+ 315.07416 164.0
[M+H-H2O]+ 259.10826 157.8
[M+HCOO]- 321.10920 185.4
[M+CH3COO]- 335.12485 201.6
[M+Na-2H]- 297.08567 168.2
[M]+ 276.11045 164.6
[M]- 276.11155 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.