CID 3065904

Brn 5987823

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC(C1=CC=C(C=C1)NC2=NC3=CC=CC=C3OC2)C(=O)OC
InChI
InChI=1S/C18H18N2O3/c1-12(18(21)22-2)13-7-9-14(10-8-13)19-17-11-23-16-6-4-3-5-15(16)20-17/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKey
JPQVXCZWRQLEEE-UHFFFAOYSA-N
Compound name
methyl 2-[4-(2H-1,4-benzoxazin-3-ylamino)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 172.6
[M+Na]+ 333.12096 186.4
[M+NH4]+ 328.16556 180.1
[M+K]+ 349.09490 179.7
[M-H]- 309.12446 178.3
[M+Na-2H]- 331.10641 179.9
[M]+ 310.13119 176.1
[M]- 310.13229 176.1
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.