CID 391200

Nsc690033

Structural Information

Molecular Formula
C15H15NO4
SMILES
CC1=C2CC(OC2=C3C(=C1OC(=O)C)C=CC=N3)OC
InChI
InChI=1S/C15H15NO4/c1-8-11-7-12(18-3)20-15(11)13-10(5-4-6-16-13)14(8)19-9(2)17/h4-6,12H,7H2,1-3H3
InChIKey
XRBRGHBLGUBUJJ-UHFFFAOYSA-N
Compound name
(2-methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1001 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 159.9
[M+Na]+ 296.08932 169.9
[M-H]- 272.09282 165.4
[M+NH4]+ 291.13392 178.0
[M+K]+ 312.06326 168.4
[M+H-H2O]+ 256.09736 153.4
[M+HCOO]- 318.09830 179.2
[M+CH3COO]- 332.11395 199.8
[M+Na-2H]- 294.07477 164.4
[M]+ 273.09955 165.9
[M]- 273.10065 165.9
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.