CID 11289552

N-acetoxymethylflindersine

Structural Information

Molecular Formula
C17H17NO4
SMILES
CC(=O)OCN1C2=CC=CC=C2C3=C(C1=O)C=CC(O3)(C)C
InChI
InChI=1S/C17H17NO4/c1-11(19)21-10-18-14-7-5-4-6-12(14)15-13(16(18)20)8-9-17(2,3)22-15/h4-9H,10H2,1-3H3
InChIKey
JXPDGNCKRXEJET-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-5-oxopyrano[3,2-c]quinolin-6-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 166.5
[M+Na]+ 322.10497 177.0
[M-H]- 298.10847 171.9
[M+NH4]+ 317.14957 183.6
[M+K]+ 338.07891 174.8
[M+H-H2O]+ 282.11301 158.6
[M+HCOO]- 344.11395 184.4
[M+CH3COO]- 358.12960 204.9
[M+Na-2H]- 320.09042 173.7
[M]+ 299.11520 171.9
[M]- 299.11630 171.9
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

No patent data available for this compound.