CID 16205689

91119-49-2

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CCCCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2C
InChI
InChI=1S/C15H20N2O3/c1-4-5-8-20-16-11(2)12-6-7-14-13(9-12)17(3)15(18)10-19-14/h6-7,9H,4-5,8,10H2,1-3H3/b16-11+
InChIKey
WQOFCLHEWAKPQQ-LFIBNONCSA-N
Compound name
6-[(E)-N-butoxy-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 164.6
[M+Na]+ 299.136618 171.5
[M-H]- 275.140124 169.3
[M+NH4]+ 294.181223 179.8
[M+K]+ 315.110558 170.3
[M+H-H2O]+ 259.144660 156.5
[M+HCOO]- 321.145601 184.5
[M+CH3COO]- 335.161251 205.9
[M+Na-2H]- 297.122066 169.3
[M]+ 276.14685142 168.2
[M]- 276.14794858 168.2
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.