CID 391964

Nsc691651

Structural Information

Molecular Formula
C19H21NO3
SMILES
CC1=C(C(=O)OC2=C1CCCCCC2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO3/c1-13-15-11-7-2-3-8-12-16(15)23-19(22)17(13)20-18(21)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H,20,21)
InChIKey
CEYXMCGCQWRBLV-UHFFFAOYSA-N
Compound name
N-(4-methyl-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

311.15213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 166.2
[M+Na]+ 334.14135 170.5
[M-H]- 310.14485 169.8
[M+NH4]+ 329.18595 172.5
[M+K]+ 350.11529 170.0
[M+H-H2O]+ 294.14939 161.4
[M+HCOO]- 356.15033 174.6
[M+CH3COO]- 370.16598 170.2
[M+Na-2H]- 332.12680 165.8
[M]+ 311.15158 165.4
[M]- 311.15268 165.4
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.