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]+ 275.139016 163.1
[M+Na]+ 297.120958 169.9
[M-H]- 273.124464 169.2
[M+NH4]+ 292.165563 178.0
[M+K]+ 313.094898 163.7
[M+H-H2O]+ 257.129000 160.0
[M+HCOO]- 319.129941 183.6
[M+CH3COO]- 333.145591 193.3
[M+Na-2H]- 295.106406 169.9
[M]+ 274.13119142 161.9
[M]- 274.13228858 161.9
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.

Patent stripe

No patent data available for this compound.