CID 135405750

3-(anilinomethylene)-2,4-chromanedione

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC=C(C=C1)N=CC2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-16(19)13(15)10-17-11-6-2-1-3-7-11/h1-10,18H
InChIKey
DMOOPGGQWWPLSI-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(phenyliminomethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

265.07388 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 156.6
[M+Na]+ 288.06310 166.3
[M-H]- 264.06660 165.7
[M+NH4]+ 283.10770 172.6
[M+K]+ 304.03704 162.9
[M+H-H2O]+ 248.07114 148.5
[M+HCOO]- 310.07208 181.2
[M+CH3COO]- 324.08773 170.0
[M+Na-2H]- 286.04855 165.8
[M]+ 265.07333 159.0
[M]- 265.07443 159.0
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.