CID 391962

Nsc691649

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1CCCC2=C(CC1)C=C(C(=O)O2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO3/c20-17(13-8-5-3-6-9-13)19-15-12-14-10-4-1-2-7-11-16(14)22-18(15)21/h3,5-6,8-9,12H,1-2,4,7,10-11H2,(H,19,20)
InChIKey
ORBSYGRIZXTHTL-UHFFFAOYSA-N
Compound name
N-(2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 162.3
[M+Na]+ 320.12572 166.4
[M-H]- 296.12922 165.9
[M+NH4]+ 315.17032 168.8
[M+K]+ 336.09966 166.1
[M+H-H2O]+ 280.13376 157.6
[M+HCOO]- 342.13470 171.0
[M+CH3COO]- 356.15035 166.5
[M+Na-2H]- 318.11117 162.7
[M]+ 297.13595 161.2
[M]- 297.13705 161.2
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.