CID 3051894

4h-1,4-benzoxazine-4-carboxamide, 2,3-dihydro-n-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C18H20N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCOC3=CC=CC=C32
InChI
InChI=1S/C18H20N2O5/c1-22-15-10-12(11-16(23-2)17(15)24-3)19-18(21)20-8-9-25-14-7-5-4-6-13(14)20/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)
InChIKey
FVICDRBQTSYCTR-UHFFFAOYSA-N
Compound name
N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

344.1372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14448 180.0
[M+Na]+ 367.12642 192.9
[M+NH4]+ 362.17102 186.4
[M+K]+ 383.10036 187.2
[M-H]- 343.12992 184.8
[M+Na-2H]- 365.11187 185.3
[M]+ 344.13665 183.1
[M]- 344.13775 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.