CID 9587996

Brn 1484179

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1C(C(=O)N(C1=O)/N=C/C2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O2/c20-15-10-14(13-4-2-1-3-5-13)16(21)19(15)18-11-12-6-8-17-9-7-12/h1-9,11,14H,10H2/b18-11+
InChIKey
OSZZUIHAXDWXFA-WOJGMQOQSA-N
Compound name
3-phenyl-1-[(E)-pyridin-4-ylmethylideneamino]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 162.8
[M+Na]+ 302.08999 170.8
[M-H]- 278.09349 171.5
[M+NH4]+ 297.13459 177.7
[M+K]+ 318.06393 166.1
[M+H-H2O]+ 262.09803 152.7
[M+HCOO]- 324.09897 186.7
[M+CH3COO]- 338.11462 201.7
[M+Na-2H]- 300.07544 166.3
[M]+ 279.10022 161.9
[M]- 279.10132 161.9
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.