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]+ 466.064836 207.2
[M+Na]+ 488.046778 214.9
[M-H]- 464.050284 216.2
[M+NH4]+ 483.091383 221.4
[M+K]+ 504.020718 203.3
[M+H-H2O]+ 448.054820 205.1
[M+HCOO]- 510.055761 223.0
[M+CH3COO]- 524.071411 229.6
[M+Na-2H]- 486.032226 207.5
[M]+ 465.05701142 227.0
[M]- 465.05810858 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.