CID 154850

187585-11-1

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 164.2
[M+Na]+ 305.08965 174.4
[M-H]- 281.09315 172.8
[M+NH4]+ 300.13425 179.2
[M+K]+ 321.06359 171.1
[M+H-H2O]+ 265.09769 155.9
[M+HCOO]- 327.09863 188.2
[M+CH3COO]- 341.11428 176.9
[M+Na-2H]- 303.07510 170.1
[M]+ 282.09988 165.6
[M]- 282.10098 165.6
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

patents stripe