CID 96511

52486-77-8

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC(C)C1CC2=C(O1)N(C3=C(C2=O)C=CC=C3OC)C
InChI
InChI=1S/C16H19NO3/c1-9(2)13-8-11-15(18)10-6-5-7-12(19-4)14(10)17(3)16(11)20-13/h5-7,9,13H,8H2,1-4H3
InChIKey
FMEKJMQGMONLTQ-UHFFFAOYSA-N
Compound name
8-methoxy-9-methyl-2-propan-2-yl-2,3-dihydrofuro[2,3-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.1365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.1
[M+Na]+ 296.12572 172.6
[M-H]- 272.12922 167.7
[M+NH4]+ 291.17032 180.5
[M+K]+ 312.09966 170.2
[M+H-H2O]+ 256.13376 155.7
[M+HCOO]- 318.13470 180.7
[M+CH3COO]- 332.15035 202.6
[M+Na-2H]- 294.11117 165.1
[M]+ 273.13595 167.3
[M]- 273.13705 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe