CID 391960

Nsc691647

Structural Information

Molecular Formula
C17H17NO3
SMILES
C1CCC2=C(CC1)OC(=O)C(=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H17NO3/c19-16(12-7-3-1-4-8-12)18-14-11-13-9-5-2-6-10-15(13)21-17(14)20/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,19)
InChIKey
FVATVTGQJFDRRQ-UHFFFAOYSA-N
Compound name
N-(2-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyran-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.128126 162.3
[M+Na]+ 306.110068 166.9
[M-H]- 282.113574 171.1
[M+NH4]+ 301.154673 176.2
[M+K]+ 322.084008 169.0
[M+H-H2O]+ 266.118110 156.0
[M+HCOO]- 328.119051 182.1
[M+CH3COO]- 342.134701 173.3
[M+Na-2H]- 304.095516 168.0
[M]+ 283.12030142 158.3
[M]- 283.12139858 158.3
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.