CID 96674

73698-54-1

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CN1CC2=CC3=C(CN(CO3)C)C=C2OC1
InChI
InChI=1S/C12H16N2O2/c1-13-5-9-3-12-10(4-11(9)15-7-13)6-14(2)8-16-12/h3-4H,5-8H2,1-2H3
InChIKey
FNLAFZPBHVDDMP-UHFFFAOYSA-N
Compound name
3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

220.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 149.9
[M+Na]+ 243.11041 164.1
[M+NH4]+ 238.15501 159.1
[M+K]+ 259.08435 157.6
[M-H]- 219.11391 155.0
[M+Na-2H]- 241.09586 153.6
[M]+ 220.12064 153.5
[M]- 220.12174 153.5
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

patents stripe