CID 391199

Nsc690032

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC1CC2=C(C(=C3C=CC=NC3=C2O1)OC(=O)C)C
InChI
InChI=1S/C15H15NO3/c1-8-7-12-9(2)14(19-10(3)17)11-5-4-6-16-13(11)15(12)18-8/h4-6,8H,7H2,1-3H3
InChIKey
WPNQXAYWWOHDQA-UHFFFAOYSA-N
Compound name
(2,4-dimethyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.1
[M+Na]+ 280.09442 167.3
[M-H]- 256.09792 162.6
[M+NH4]+ 275.13902 176.0
[M+K]+ 296.06836 165.2
[M+H-H2O]+ 240.10246 150.8
[M+HCOO]- 302.10340 176.2
[M+CH3COO]- 316.11905 197.6
[M+Na-2H]- 278.07987 161.4
[M]+ 257.10465 161.6
[M]- 257.10575 161.6
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.