CID 9579445

[(1z)-1-acetoxyimino-3-(3-methylbut-2-enyl)-4-oxo-2-naphthyl] acetate

Structural Information

Molecular Formula
C19H19NO5
SMILES
CC(=CCC1=C(/C(=N\OC(=O)C)/C2=CC=CC=C2C1=O)OC(=O)C)C
InChI
InChI=1S/C19H19NO5/c1-11(2)9-10-16-18(23)15-8-6-5-7-14(15)17(20-25-13(4)22)19(16)24-12(3)21/h5-9H,10H2,1-4H3/b20-17-
InChIKey
DFIZQXPBSGCSSH-JZJYNLBNSA-N
Compound name
[(1Z)-1-acetyloxyimino-3-(3-methylbut-2-enyl)-4-oxonaphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1263 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 176.5
[M+Na]+ 364.11552 183.5
[M-H]- 340.11902 182.2
[M+NH4]+ 359.16012 191.6
[M+K]+ 380.08946 181.4
[M+H-H2O]+ 324.12356 169.2
[M+HCOO]- 386.12450 197.6
[M+CH3COO]- 400.14015 217.9
[M+Na-2H]- 362.10097 176.7
[M]+ 341.12575 181.5
[M]- 341.12685 181.5
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.