CID 3051895

3,4,5-trimethoxyphenyl 2,3-dihydro-4h-1,4-benzoxazine-4-carboxylate

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]+ 346.128526 178.3
[M+Na]+ 368.110468 185.5
[M-H]- 344.113974 185.1
[M+NH4]+ 363.155073 189.7
[M+K]+ 384.084408 185.2
[M+H-H2O]+ 328.118510 168.6
[M+HCOO]- 390.119451 196.1
[M+CH3COO]- 404.135101 211.4
[M+Na-2H]- 366.095916 182.3
[M]+ 345.12070142 184.3
[M]- 345.12179858 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.