CID 16205691

Brn 4495799

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C/C(=N\OCC#C)/C1=CC2=C(C=C1)OCC(=O)N2C
InChI
InChI=1S/C14H14N2O3/c1-4-7-19-15-10(2)11-5-6-13-12(8-11)16(3)14(17)9-18-13/h1,5-6,8H,7,9H2,2-3H3/b15-10+
InChIKey
JOPYIMXKOSMCSK-XNTDXEJSSA-N
Compound name
4-methyl-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

258.10043 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 160.7
[M+Na]+ 281.08965 172.4
[M+NH4]+ 276.13425 164.1
[M+K]+ 297.06359 163.4
[M-H]- 257.09315 155.3
[M+Na-2H]- 279.07510 161.4
[M]+ 258.09988 159.9
[M]- 258.10098 159.9
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.