CID 54688593

Nsc639863

Structural Information

Molecular Formula
C18H17NO2
SMILES
CN1CCC2=CC=CC=C2/C(=C(/C3=CC=CC=C3)\O)/C1=O
InChI
InChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(18(19)21)17(20)14-8-3-2-4-9-14/h2-10,20H,11-12H2,1H3/b17-16+
InChIKey
TZUUNLLQZLRYQA-WUKNDPDISA-N
Compound name
(5E)-5-[hydroxy(phenyl)methylidene]-3-methyl-1,2-dihydro-3-benzazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 163.4
[M+Na]+ 302.11514 169.0
[M-H]- 278.11864 169.2
[M+NH4]+ 297.15974 177.4
[M+K]+ 318.08908 168.3
[M+H-H2O]+ 262.12318 156.7
[M+HCOO]- 324.12412 180.0
[M+CH3COO]- 338.13977 173.6
[M+Na-2H]- 300.10059 166.5
[M]+ 279.12537 157.6
[M]- 279.12647 157.6
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.