CID 77751

4108-61-6

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)N)OC2=O
InChI
InChI=1S/C15H11NO2/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9H,16H2
InChIKey
IJCLOOKYCQWSJA-UHFFFAOYSA-N
Compound name
7-amino-3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

330
Patents

237.07898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.4
[M+Na]+ 260.06820 160.4
[M-H]- 236.07170 159.1
[M+NH4]+ 255.11280 167.4
[M+K]+ 276.04214 156.7
[M+H-H2O]+ 220.07624 142.8
[M+HCOO]- 282.07718 174.3
[M+CH3COO]- 296.09283 164.1
[M+Na-2H]- 258.05365 159.0
[M]+ 237.07843 150.9
[M]- 237.07953 150.9
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

patents stripe