CID 45791785

1-(6-amino-3,4-dihydro-2h-1,4-benzoxazin-4-yl)-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C)(C)C(=O)N1CCOC2=C1C=C(C=C2)N
InChI
InChI=1S/C13H18N2O2/c1-13(2,3)12(16)15-6-7-17-11-5-4-9(14)8-10(11)15/h4-5,8H,6-7,14H2,1-3H3
InChIKey
SOXZPKHZFLAKRK-UHFFFAOYSA-N
Compound name
1-(6-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 153.9
[M+Na]+ 257.12605 165.0
[M+NH4]+ 252.17065 161.4
[M+K]+ 273.09999 160.4
[M-H]- 233.12955 156.6
[M+Na-2H]- 255.11150 157.8
[M]+ 234.13628 156.2
[M]- 234.13738 156.2
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.