CID 5465899

Nsc667260

Structural Information

Molecular Formula
C16H13NO3
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H13NO3/c1-9-13-7-6-12(18)8-14(13)20-16(19)15(9)10-2-4-11(17)5-3-10/h2-8,18H,17H2,1H3
InChIKey
NKQBSNBLNVXOLX-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-7-hydroxy-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 159.4
[M+Na]+ 290.07876 170.1
[M-H]- 266.08226 167.3
[M+NH4]+ 285.12336 175.0
[M+K]+ 306.05270 166.3
[M+H-H2O]+ 250.08680 151.9
[M+HCOO]- 312.08774 181.5
[M+CH3COO]- 326.10339 172.4
[M+Na-2H]- 288.06421 165.5
[M]+ 267.08899 160.7
[M]- 267.09009 160.7
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.