CID 3051896

4h-1,4-benzoxazine-4-carboxamide, 2,3-dihydro-6-chloro-n-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C18H19ClN2O5
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCOC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2O5/c1-23-15-9-12(10-16(24-2)17(15)25-3)20-18(22)21-6-7-26-14-5-4-11(19)8-13(14)21/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)
InChIKey
LZKMEDXXSHTHHJ-UHFFFAOYSA-N
Compound name
6-chloro-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

378.09824 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10552 186.1
[M+Na]+ 401.08746 194.3
[M-H]- 377.09096 193.1
[M+NH4]+ 396.13206 197.2
[M+K]+ 417.06140 191.9
[M+H-H2O]+ 361.09550 177.3
[M+HCOO]- 423.09644 200.3
[M+CH3COO]- 437.11209 219.2
[M+Na-2H]- 399.07291 189.5
[M]+ 378.09769 192.9
[M]- 378.09879 192.9
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.