CID 6447777

100098-80-4

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC1CC(N=C(O1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])(C)C
InChI
InChI=1S/C15H18N2O3/c1-11-10-15(2,3)16-14(20-11)8-7-12-5-4-6-13(9-12)17(18)19/h4-9,11H,10H2,1-3H3/b8-7+
InChIKey
UAZVMEZNMHGFNH-BQYQJAHWSA-N
Compound name
4,4,6-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5,6-dihydro-1,3-oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 162.6
[M+Na]+ 297.12096 177.0
[M+NH4]+ 292.16556 171.4
[M+K]+ 313.09490 170.8
[M-H]- 273.12446 168.6
[M+Na-2H]- 295.10641 170.5
[M]+ 274.13119 166.5
[M]- 274.13229 166.5
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.