CID 3051912

68061-43-8

Structural Information

Molecular Formula
C19H22N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)NCC(=O)N2CCOC3=CC=CC=C32
InChI
InChI=1S/C19H22N2O5/c1-23-16-10-13(11-17(24-2)19(16)25-3)20-12-18(22)21-8-9-26-15-7-5-4-6-14(15)21/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey
HSHLZVXJPPTWOZ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3,4,5-trimethoxyanilino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.15286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16014 184.3
[M+Na]+ 381.14208 197.0
[M+NH4]+ 376.18668 190.5
[M+K]+ 397.11602 191.0
[M-H]- 357.14558 189.1
[M+Na-2H]- 379.12753 189.4
[M]+ 358.15231 187.4
[M]- 358.15341 187.4
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.