CID 16205690

91119-50-5

Structural Information

Molecular Formula
C14H16N2O3
SMILES
C/C(=N\OCC=C)/C1=CC2=C(C=C1)OCC(=O)N2C
InChI
InChI=1S/C14H16N2O3/c1-4-7-19-15-10(2)11-5-6-13-12(8-11)16(3)14(17)9-18-13/h4-6,8H,1,7,9H2,2-3H3/b15-10+
InChIKey
AJHWFMFUHRZDAJ-XNTDXEJSSA-N
Compound name
4-methyl-6-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 158.5
[M+Na]+ 283.105318 166.1
[M-H]- 259.108824 163.4
[M+NH4]+ 278.149923 174.2
[M+K]+ 299.079258 164.5
[M+H-H2O]+ 243.113360 150.6
[M+HCOO]- 305.114301 178.8
[M+CH3COO]- 319.129951 202.1
[M+Na-2H]- 281.090766 163.7
[M]+ 260.11555142 161.0
[M]- 260.11664858 161.0
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.