CID 3070682

Brn 4525114

Structural Information

Molecular Formula
C19H19NO3
SMILES
CCOC(=O)CC1=CC2=C(C=C1)OCC(=N2)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H19NO3/c1-3-22-19(21)11-14-6-9-18-16(10-14)20-17(12-23-18)15-7-4-13(2)5-8-15/h4-10H,3,11-12H2,1-2H3
InChIKey
ZKRHNAQFQZIGMU-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(4-methylphenyl)-2H-1,4-benzoxazin-6-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 172.7
[M+Na]+ 332.12572 188.3
[M+NH4]+ 327.17032 180.7
[M+K]+ 348.09966 180.4
[M-H]- 308.12922 178.4
[M+Na-2H]- 330.11117 180.2
[M]+ 309.13595 176.7
[M]- 309.13705 176.7
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.