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]+ 264.10192 159.0
[M+Na]+ 286.08386 165.6
[M-H]- 262.08736 164.9
[M+NH4]+ 281.12846 173.6
[M+K]+ 302.05780 163.9
[M+H-H2O]+ 246.09190 152.4
[M+HCOO]- 308.09284 177.0
[M+CH3COO]- 322.10849 169.8
[M+Na-2H]- 284.06931 163.6
[M]+ 263.09409 152.7
[M]- 263.09519 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.