CID 16205696

Brn 4516481

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCCCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2CC
InChI
InChI=1S/C16H22N2O3/c1-4-6-9-21-17-12(3)13-7-8-15-14(10-13)18(5-2)16(19)11-20-15/h7-8,10H,4-6,9,11H2,1-3H3/b17-12+
InChIKey
NSOHDCQDVFKYMB-SFQUDFHCSA-N
Compound name
6-[(E)-N-butoxy-C-methylcarbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 169.3
[M+Na]+ 313.15228 175.7
[M-H]- 289.15578 173.8
[M+NH4]+ 308.19688 183.9
[M+K]+ 329.12622 174.3
[M+H-H2O]+ 273.16032 160.9
[M+HCOO]- 335.16126 188.8
[M+CH3COO]- 349.17691 208.9
[M+Na-2H]- 311.13773 173.4
[M]+ 290.16251 173.2
[M]- 290.16361 173.2
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.