CID 39685

50527-30-5

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]
InChI
InChI=1S/C15H10N2O4/c18-15-14(17(19)20)13(16-10-6-2-1-3-7-10)11-8-4-5-9-12(11)21-15/h1-9,16H
InChIKey
PUDUMDVYKGGXBP-UHFFFAOYSA-N
Compound name
4-anilino-3-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

282.06406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.071336 158.6
[M+Na]+ 305.053278 166.1
[M-H]- 281.056784 167.3
[M+NH4]+ 300.097883 172.5
[M+K]+ 321.027218 159.3
[M+H-H2O]+ 265.061320 154.5
[M+HCOO]- 327.062261 183.8
[M+CH3COO]- 341.077911 196.2
[M+Na-2H]- 303.038726 169.5
[M]+ 282.06351142 158.7
[M]- 282.06460858 158.7
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.