CID 104636

53894-36-3

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=C(C=C(C=C3)N4C(=O)C=CC4=O)N
InChI
InChI=1S/C20H14N2O2/c21-18-12-14(22-19(23)10-11-20(22)24)8-9-17(18)16-7-3-5-13-4-1-2-6-15(13)16/h1-12H,21H2
InChIKey
PFTFPECNOXBKTH-UHFFFAOYSA-N
Compound name
1-(3-amino-4-naphthalen-1-ylphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.10553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 173.2
[M+Na]+ 337.09475 182.8
[M-H]- 313.09825 183.0
[M+NH4]+ 332.13935 188.5
[M+K]+ 353.06869 176.1
[M+H-H2O]+ 297.10279 164.0
[M+HCOO]- 359.10373 195.7
[M+CH3COO]- 373.11938 185.0
[M+Na-2H]- 335.08020 175.5
[M]+ 314.10498 172.1
[M]- 314.10608 172.1
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.