CID 3088334

2h-furo(3,4-b)pyran-7(5h)-one, 3,4-dihydro-2,2-dimethyl-4-((4-methylphenyl)imino)-, 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]+ 288.123026 165.2
[M+Na]+ 310.104968 172.4
[M-H]- 286.108474 174.3
[M+NH4]+ 305.149573 182.3
[M+K]+ 326.078908 167.0
[M+H-H2O]+ 270.113010 163.9
[M+HCOO]- 332.113951 184.7
[M+CH3COO]- 346.129601 195.3
[M+Na-2H]- 308.090416 171.3
[M]+ 287.11520142 164.2
[M]- 287.11629858 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.