CID 206269

47140-15-8

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC(C)(C1CC2=C(O1)N(C3=C(C2=O)C=CC=C3OC)C)O
InChI
InChI=1S/C16H19NO4/c1-16(2,19)12-8-10-14(18)9-6-5-7-11(20-4)13(9)17(3)15(10)21-12/h5-7,12,19H,8H2,1-4H3
InChIKey
VPNKCPHNFBSHAP-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropan-2-yl)-8-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

289.1314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 166.0
[M+Na]+ 312.12062 176.5
[M-H]- 288.12412 170.5
[M+NH4]+ 307.16522 183.2
[M+K]+ 328.09456 174.1
[M+H-H2O]+ 272.12866 160.5
[M+HCOO]- 334.12960 182.7
[M+CH3COO]- 348.14525 202.0
[M+Na-2H]- 310.10607 171.0
[M]+ 289.13085 171.1
[M]- 289.13195 171.1
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

patents stripe