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]+ 280.133196 163.4
[M+Na]+ 302.115138 169.0
[M-H]- 278.118644 169.2
[M+NH4]+ 297.159743 177.4
[M+K]+ 318.089078 168.3
[M+H-H2O]+ 262.123180 156.7
[M+HCOO]- 324.124121 180.0
[M+CH3COO]- 338.139771 173.6
[M+Na-2H]- 300.100586 166.5
[M]+ 279.12537142 157.6
[M]- 279.12646858 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.