CID 16205690

Brn 4495800

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]+ 261.12338 158.5
[M+Na]+ 283.10532 166.1
[M-H]- 259.10882 163.4
[M+NH4]+ 278.14992 174.2
[M+K]+ 299.07926 164.5
[M+H-H2O]+ 243.11336 150.6
[M+HCOO]- 305.11430 178.8
[M+CH3COO]- 319.12995 202.1
[M+Na-2H]- 281.09077 163.7
[M]+ 260.11555 161.0
[M]- 260.11665 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.