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 165.2
[M+Na]+ 310.10497 172.4
[M-H]- 286.10847 174.3
[M+NH4]+ 305.14957 182.3
[M+K]+ 326.07891 167.0
[M+H-H2O]+ 270.11301 163.9
[M+HCOO]- 332.11395 184.7
[M+CH3COO]- 346.12960 195.3
[M+Na-2H]- 308.09042 171.3
[M]+ 287.11520 164.2
[M]- 287.11630 164.2
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.