CID 146080981

2137469-78-2

Structural Information

Molecular Formula
C24H20BrNO4
SMILES
CC1=C(C(=CC=C1)Br)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H20BrNO4/c1-14-7-6-12-20(25)21(14)22(23(27)28)26-24(29)30-13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-12,19,22H,13H2,1H3,(H,26,29)(H,27,28)
InChIKey
ZMNWNOULKOHBPA-UHFFFAOYSA-N
Compound name
2-(2-bromo-6-methylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.05756 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.06484 207.2
[M+Na]+ 488.04678 214.9
[M-H]- 464.05028 216.2
[M+NH4]+ 483.09138 221.4
[M+K]+ 504.02072 203.3
[M+H-H2O]+ 448.05482 205.1
[M+HCOO]- 510.05576 223.0
[M+CH3COO]- 524.07141 229.6
[M+Na-2H]- 486.03223 207.5
[M]+ 465.05701 227.0
[M]- 465.05811 227.0
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.