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]+ 244.133206 154.3
[M+Na]+ 266.115148 163.0
[M-H]- 242.118654 161.4
[M+NH4]+ 261.159753 174.1
[M+K]+ 282.089088 160.4
[M+H-H2O]+ 226.123190 147.3
[M+HCOO]- 288.124131 173.1
[M+CH3COO]- 302.139781 167.2
[M+Na-2H]- 264.100596 158.9
[M]+ 243.12538142 153.8
[M]- 243.12647858 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.