CID 9570862

Brn 4513043

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)/C(=N/OCC#C)/C
InChI
InChI=1S/C15H16N2O3/c1-4-8-20-16-11(3)12-6-7-14-13(9-12)17(5-2)15(18)10-19-14/h1,6-7,9H,5,8,10H2,2-3H3/b16-11+
InChIKey
BRWKELFEBROTEB-LFIBNONCSA-N
Compound name
4-ethyl-6-[(E)-C-methyl-N-prop-2-ynoxycarbonimidoyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 164.7
[M+Na]+ 295.10532 176.2
[M+NH4]+ 290.14992 168.0
[M+K]+ 311.07926 167.0
[M-H]- 271.10882 159.4
[M+Na-2H]- 293.09077 165.3
[M]+ 272.11555 163.9
[M]- 272.11665 163.9
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.