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]+ 284.12813 162.3
[M+Na]+ 306.11007 166.9
[M-H]- 282.11357 171.1
[M+NH4]+ 301.15467 176.2
[M+K]+ 322.08401 169.0
[M+H-H2O]+ 266.11811 156.0
[M+HCOO]- 328.11905 182.1
[M+CH3COO]- 342.13470 173.3
[M+Na-2H]- 304.09552 168.0
[M]+ 283.12030 158.3
[M]- 283.12140 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.