CID 14010680

105260-10-4

Structural Information

Molecular Formula
C18H14N2O3
SMILES
C1CC2=CC=CC=C2NC(=O)C1N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H14N2O3/c21-16-15(10-9-11-5-1-4-8-14(11)19-16)20-17(22)12-6-2-3-7-13(12)18(20)23/h1-8,15H,9-10H2,(H,19,21)
InChIKey
SMZOPJDSHVNPHT-UHFFFAOYSA-N
Compound name
2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

306.10043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 171.3
[M+Na]+ 329.08965 179.5
[M-H]- 305.09315 177.6
[M+NH4]+ 324.13425 185.8
[M+K]+ 345.06359 176.9
[M+H-H2O]+ 289.09769 163.7
[M+HCOO]- 351.09863 186.9
[M+CH3COO]- 365.11428 181.6
[M+Na-2H]- 327.07510 173.0
[M]+ 306.09988 166.3
[M]- 306.10098 166.3
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