CID 3065901

Brn 5983687

Structural Information

Molecular Formula
C17H16N2O3
SMILES
COC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3OC2
InChI
InChI=1S/C17H16N2O3/c1-21-17(20)10-12-6-8-13(9-7-12)18-16-11-22-15-5-3-2-4-14(15)19-16/h2-9H,10-11H2,1H3,(H,18,19)
InChIKey
XZVUMEISKPCOHJ-UHFFFAOYSA-N
Compound name
methyl 2-[4-(2H-1,4-benzoxazin-3-ylamino)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 168.4
[M+Na]+ 319.10532 182.8
[M+NH4]+ 314.14992 176.2
[M+K]+ 335.07926 175.5
[M-H]- 295.10882 174.3
[M+Na-2H]- 317.09077 176.3
[M]+ 296.11555 172.2
[M]- 296.11665 172.2
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.