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 192.6
[M+Na]+ 424.11552 198.8
[M-H]- 400.11902 199.5
[M+NH4]+ 419.16012 204.0
[M+K]+ 440.08946 194.9
[M+H-H2O]+ 384.12356 183.4
[M+HCOO]- 446.12450 205.6
[M+CH3COO]- 460.14015 201.3
[M+Na-2H]- 422.10097 194.5
[M]+ 401.12575 194.0
[M]- 401.12685 194.0
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.