CID 91826517

Nsc756093

Structural Information

Molecular Formula
C20H19NO4
SMILES
COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC=CC=C4
InChI
InChI=1S/C20H19NO4/c1-24-14-7-8-15-16(11-14)21(9-10-22)17-12-25-20(23)19(17)18(15)13-5-3-2-4-6-13/h2-8,11,18,22H,9-10,12H2,1H3
InChIKey
SMEJQLRLHKWIFV-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-6-methoxy-9-phenyl-3,9-dihydrofuro[3,4-b]quinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

337.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.4
[M+Na]+ 360.12062 187.0
[M-H]- 336.12412 185.2
[M+NH4]+ 355.16522 192.6
[M+K]+ 376.09456 182.8
[M+H-H2O]+ 320.12866 170.2
[M+HCOO]- 382.12960 195.1
[M+CH3COO]- 396.14525 189.2
[M+Na-2H]- 358.10607 181.1
[M]+ 337.13085 181.1
[M]- 337.13195 181.1
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