CID 374659

Nsc652759

Structural Information

Molecular Formula
C23H17NO5
SMILES
COC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4
InChI
InChI=1S/C23H17NO5/c1-27-22(25)17-8-10-18(11-9-17)28-14-15-7-12-20-19(13-15)24-21(23(26)29-20)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKey
GRBXHWPKQLQOAY-UHFFFAOYSA-N
Compound name
methyl 4-[(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)methoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1107 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11798 191.7
[M+Na]+ 410.09992 200.1
[M-H]- 386.10342 201.9
[M+NH4]+ 405.14452 200.6
[M+K]+ 426.07386 196.8
[M+H-H2O]+ 370.10796 180.0
[M+HCOO]- 432.10890 211.5
[M+CH3COO]- 446.12455 202.1
[M+Na-2H]- 408.08537 196.8
[M]+ 387.11015 196.9
[M]- 387.11125 196.9
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.