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]+ 359.160136 184.1
[M+Na]+ 381.142078 190.0
[M-H]- 357.145584 190.6
[M+NH4]+ 376.186683 194.6
[M+K]+ 397.116018 188.8
[M+H-H2O]+ 341.150120 174.0
[M+HCOO]- 403.151061 202.4
[M+CH3COO]- 417.166711 217.9
[M+Na-2H]- 379.127526 188.0
[M]+ 358.15231142 188.4
[M]- 358.15340858 188.4
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.