CID 380757

Nsc666464

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=C3C(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C20H14N2O2/c23-19-17-8-4-5-9-18(17)24-20(19)22-16-12-10-15(11-13-16)21-14-6-2-1-3-7-14/h1-13,21H
InChIKey
JMPCSRMBGXOUMT-UHFFFAOYSA-N
Compound name
2-(4-anilinophenyl)imino-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.10553 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 170.9
[M+Na]+ 337.09475 178.7
[M-H]- 313.09825 183.8
[M+NH4]+ 332.13935 186.5
[M+K]+ 353.06869 174.3
[M+H-H2O]+ 297.10279 161.9
[M+HCOO]- 359.10373 197.1
[M+CH3COO]- 373.11938 183.4
[M+Na-2H]- 335.08020 177.4
[M]+ 314.10498 171.2
[M]- 314.10608 171.2
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.