CID 3065392

5,6,7,7a-tetrahydro-6,7a-dimethyl-5-phenylfuro(2,3-c)pyridin-2(4h)-one methanesulfonate

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC12CN(C(CC1=CC(=O)O2)C3=CC=CC=C3)C
InChI
InChI=1S/C15H17NO2/c1-15-10-16(2)13(11-6-4-3-5-7-11)8-12(15)9-14(17)18-15/h3-7,9,13H,8,10H2,1-2H3
InChIKey
AHGDPJUXWIGSRD-UHFFFAOYSA-N
Compound name
6,7a-dimethyl-5-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 154.3
[M+Na]+ 266.11515 163.0
[M-H]- 242.11865 161.4
[M+NH4]+ 261.15975 174.1
[M+K]+ 282.08909 160.4
[M+H-H2O]+ 226.12319 147.3
[M+HCOO]- 288.12413 173.1
[M+CH3COO]- 302.13978 167.2
[M+Na-2H]- 264.10060 158.9
[M]+ 243.12538 153.8
[M]- 243.12648 153.8
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.