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]+ 466.064836 207.3
[M+Na]+ 488.046778 214.7
[M-H]- 464.050284 217.2
[M+NH4]+ 483.091383 221.9
[M+K]+ 504.020718 203.7
[M+H-H2O]+ 448.054820 204.8
[M+HCOO]- 510.055761 224.6
[M+CH3COO]- 524.071411 230.4
[M+Na-2H]- 486.032226 208.6
[M]+ 465.05701142 228.4
[M]- 465.05810858 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.