CID 103663924

1691671-14-3

Structural Information

Molecular Formula
C24H20BrNO5
SMILES
COC1=C(C=C(C=C1)Br)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H20BrNO5/c1-30-21-11-10-14(25)12-19(21)22(23(27)28)26-24(29)31-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20,22H,13H2,1H3,(H,26,29)(H,27,28)
InChIKey
WTUTURXUEDDBAC-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.0525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.05978 209.1
[M+Na]+ 504.04172 216.4
[M-H]- 480.04522 218.0
[M+NH4]+ 499.08632 222.5
[M+K]+ 520.01566 205.6
[M+H-H2O]+ 464.04976 206.7
[M+HCOO]- 526.05070 225.0
[M+CH3COO]- 540.06635 231.7
[M+Na-2H]- 502.02717 209.6
[M]+ 481.05195 230.2
[M]- 481.05305 230.2
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.