CID 43000

Coumarin, 3-amino-4-anilino-

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)N
InChI
InChI=1S/C15H12N2O2/c16-13-14(17-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-15(13)18/h1-9,17H,16H2
InChIKey
ULHWIGAMNYDVGS-UHFFFAOYSA-N
Compound name
3-amino-4-anilinochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

252.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 154.2
[M+Na]+ 275.07909 163.2
[M-H]- 251.08259 162.7
[M+NH4]+ 270.12369 170.2
[M+K]+ 291.05303 159.6
[M+H-H2O]+ 235.08713 146.1
[M+HCOO]- 297.08807 179.1
[M+CH3COO]- 311.10372 167.2
[M+Na-2H]- 273.06454 163.3
[M]+ 252.08932 154.0
[M]- 252.09042 154.0
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.