CID 154850

3,3'-diamino-4'-methoxyflavone

Structural Information

Molecular Formula
C16H14N2O3
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)N)N
InChI
InChI=1S/C16H14N2O3/c1-20-13-7-6-9(8-11(13)17)16-14(18)15(19)10-4-2-3-5-12(10)21-16/h2-8H,17-18H2,1H3
InChIKey
HSRUZXHIEFFBHR-UHFFFAOYSA-N
Compound name
3-amino-2-(3-amino-4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

282.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 163.7
[M+Na]+ 305.08965 179.0
[M+NH4]+ 300.13425 171.9
[M+K]+ 321.06359 172.0
[M-H]- 281.09315 171.0
[M+Na-2H]- 303.07510 171.5
[M]+ 282.09988 168.0
[M]- 282.10098 168.0
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

patents stripe