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 167.9
[M+Na]+ 319.10532 174.5
[M-H]- 295.10882 174.5
[M+NH4]+ 314.14992 180.8
[M+K]+ 335.07926 171.9
[M+H-H2O]+ 279.11336 158.4
[M+HCOO]- 341.11430 188.1
[M+CH3COO]- 355.12995 204.0
[M+Na-2H]- 317.09077 175.1
[M]+ 296.11555 169.2
[M]- 296.11665 169.2
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.