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 173.5
[M+Na]+ 332.12572 181.0
[M-H]- 308.12922 180.1
[M+NH4]+ 327.17032 186.4
[M+K]+ 348.09966 178.0
[M+H-H2O]+ 292.13376 164.1
[M+HCOO]- 354.13470 191.9
[M+CH3COO]- 368.15035 206.7
[M+Na-2H]- 330.11117 178.3
[M]+ 309.13595 176.6
[M]- 309.13705 176.6
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.