CID 3065394

107885-49-4

Structural Information

Molecular Formula
C16H19NO2
SMILES
CC1=CC=C(C=C1)C2CC3=CC(=O)OC3(CN2C)C
InChI
InChI=1S/C16H19NO2/c1-11-4-6-12(7-5-11)14-8-13-9-15(18)19-16(13,2)10-17(14)3/h4-7,9,14H,8,10H2,1-3H3
InChIKey
QTQQPUWVTBYCCO-UHFFFAOYSA-N
Compound name
6,7a-dimethyl-5-(4-methylphenyl)-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

257.14157 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 159.1
[M+Na]+ 280.13079 172.8
[M+NH4]+ 275.17539 169.5
[M+K]+ 296.10473 165.7
[M-H]- 256.13429 164.4
[M+Na-2H]- 278.11624 165.9
[M]+ 257.14102 162.8
[M]- 257.14212 162.8
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.