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 158.5
[M+Na]+ 280.13079 167.7
[M-H]- 256.13429 165.8
[M+NH4]+ 275.17539 178.1
[M+K]+ 296.10473 164.8
[M+H-H2O]+ 240.13883 151.6
[M+HCOO]- 302.13977 176.9
[M+CH3COO]- 316.15542 171.3
[M+Na-2H]- 278.11624 161.9
[M]+ 257.14102 158.7
[M]- 257.14212 158.7
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.