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 179.8
[M+Na]+ 367.12642 186.3
[M-H]- 343.12992 186.5
[M+NH4]+ 362.17102 191.0
[M+K]+ 383.10036 185.2
[M+H-H2O]+ 327.13446 170.0
[M+HCOO]- 389.13540 198.5
[M+CH3COO]- 403.15105 214.4
[M+Na-2H]- 365.11187 184.2
[M]+ 344.13665 183.7
[M]- 344.13775 183.7
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.