CID 3051895

4h-1,4-benzoxazine-4-carboxylic acid, 2,3-dihydro-, 3,4,5-trimethoxyphenyl ester

Structural Information

Molecular Formula
C18H19NO6
SMILES
COC1=CC(=CC(=C1OC)OC)OC(=O)N2CCOC3=CC=CC=C32
InChI
InChI=1S/C18H19NO6/c1-21-15-10-12(11-16(22-2)17(15)23-3)25-18(20)19-8-9-24-14-7-5-4-6-13(14)19/h4-7,10-11H,8-9H2,1-3H3
InChIKey
USWWMKPQVCUPEX-UHFFFAOYSA-N
Compound name
(3,4,5-trimethoxyphenyl) 2,3-dihydro-1,4-benzoxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.12125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12853 178.3
[M+Na]+ 368.11047 185.5
[M-H]- 344.11397 185.1
[M+NH4]+ 363.15507 189.7
[M+K]+ 384.08441 185.2
[M+H-H2O]+ 328.11851 168.6
[M+HCOO]- 390.11945 196.1
[M+CH3COO]- 404.13510 211.4
[M+Na-2H]- 366.09592 182.3
[M]+ 345.12070 184.3
[M]- 345.12180 184.3
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.