CID 139211261

2137803-51-9

Structural Information

Molecular Formula
C24H20BrNO4
SMILES
C1=CC=C(C(=C1)CN(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Br
InChI
InChI=1S/C24H20BrNO4/c25-22-12-6-1-7-16(22)13-26(14-23(27)28)24(29)30-15-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21/h1-12,21H,13-15H2,(H,27,28)
InChIKey
QEGXPTMBSXIEJY-UHFFFAOYSA-N
Compound name
2-[(2-bromophenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.05756 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.06484 207.3
[M+Na]+ 488.04678 214.7
[M-H]- 464.05028 217.2
[M+NH4]+ 483.09138 221.9
[M+K]+ 504.02072 203.7
[M+H-H2O]+ 448.05482 204.8
[M+HCOO]- 510.05576 224.6
[M+CH3COO]- 524.07141 230.4
[M+Na-2H]- 486.03223 208.6
[M]+ 465.05701 228.4
[M]- 465.05811 228.4
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.