CID 237517

3369-39-9

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=O)C=CC3=O
InChI
InChI=1S/C14H9NO2/c16-13-8-9-14(17)15(13)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H
InChIKey
BAWHYOHVWHQWFQ-UHFFFAOYSA-N
Compound name
1-naphthalen-1-ylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3019
Patents

223.06332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 147.8
[M+Na]+ 246.05254 162.9
[M+NH4]+ 241.09714 156.9
[M+K]+ 262.02648 156.8
[M-H]- 222.05604 151.8
[M+Na-2H]- 244.03799 155.9
[M]+ 223.06277 151.1
[M]- 223.06387 151.1
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