CID 63310331

1341714-70-2

Structural Information

Molecular Formula
C24H19NO5
SMILES
C1C(OC2=CC=CC=C2N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C24H19NO5/c26-23(27)22-13-25(20-11-5-6-12-21(20)30-22)24(28)29-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19,22H,13-14H2,(H,26,27)
InChIKey
FILOMFPVLURQOC-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1263 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13358 193.9
[M+Na]+ 424.11552 207.8
[M+NH4]+ 419.16012 201.4
[M+K]+ 440.08946 202.7
[M-H]- 400.11902 198.9
[M+Na-2H]- 422.10097 197.8
[M]+ 401.12575 197.3
[M]- 401.12685 197.3
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.