CID 5468284

Nsc667517

Structural Information

Molecular Formula
C17H13NO2
SMILES
C1/C(=C\C2=CC=CC=C2)/C(=O)C3=CC=CC=C3NC1=O
InChI
InChI=1S/C17H13NO2/c19-16-11-13(10-12-6-2-1-3-7-12)17(20)14-8-4-5-9-15(14)18-16/h1-10H,11H2,(H,18,19)/b13-10+
InChIKey
OMXPEFBXZUCIFX-JLHYYAGUSA-N
Compound name
(4E)-4-benzylidene-1H-1-benzazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.101916 159.0
[M+Na]+ 286.083858 165.6
[M-H]- 262.087364 164.9
[M+NH4]+ 281.128463 173.6
[M+K]+ 302.057798 163.9
[M+H-H2O]+ 246.091900 152.4
[M+HCOO]- 308.092841 177.0
[M+CH3COO]- 322.108491 169.8
[M+Na-2H]- 284.069306 163.6
[M]+ 263.09409142 152.7
[M]- 263.09518858 152.7
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.