CID 3088334

3,4-dihydro-2,2-dimethyl-4-((4-methylphenyl)imino)-2h-furo(3,4-b)pyran-7(5h)-one n-oxide

Structural Information

Molecular Formula
C16H17NO4
SMILES
CC1=CC=C(C=C1)/[N+](=C\2/CC(OC3=C2COC3=O)(C)C)/[O-]
InChI
InChI=1S/C16H17NO4/c1-10-4-6-11(7-5-10)17(19)13-8-16(2,3)21-14-12(13)9-20-15(14)18/h4-7H,8-9H2,1-3H3/b17-13+
InChIKey
IIGKCUWXTATIOH-GHRIWEEISA-N
Compound name
2,2-dimethyl-N-(4-methylphenyl)-7-oxo-3,5-dihydrofuro[3,4-b]pyran-4-imine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 163.7
[M+Na]+ 310.10497 177.3
[M+NH4]+ 305.14957 173.4
[M+K]+ 326.07891 173.7
[M-H]- 286.10847 171.4
[M+Na-2H]- 308.09042 169.2
[M]+ 287.11520 167.9
[M]- 287.11630 167.9
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.

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No patent data available for this compound.