CID 16205689

Brn 4496915

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]+ 277.15468 164.5
[M+Na]+ 299.13662 176.3
[M+NH4]+ 294.18122 171.5
[M+K]+ 315.11056 170.1
[M-H]- 275.14012 167.7
[M+Na-2H]- 297.12207 168.2
[M]+ 276.14685 166.9
[M]- 276.14795 166.9
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.