CID 10885274

381222-53-3

Structural Information

Molecular Formula
C27H27NO7
SMILES
COC1=CC(=CC(=C1OC)OC)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H27NO7/c1-32-23-13-16(14-24(33-2)25(23)34-3)12-22(26(29)30)28-27(31)35-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,13-14,21-22H,12,15H2,1-3H3,(H,28,31)(H,29,30)/t22-/m0/s1
InChIKey
ZMYXJFNOVGJURH-QFIPXVFZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3,4,5-trimethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.17874 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.18602 213.3
[M+Na]+ 500.16796 217.5
[M-H]- 476.17146 220.1
[M+NH4]+ 495.21256 223.1
[M+K]+ 516.14190 215.3
[M+H-H2O]+ 460.17600 204.3
[M+HCOO]- 522.17694 231.0
[M+CH3COO]- 536.19259 239.4
[M+Na-2H]- 498.15341 212.0
[M]+ 477.17819 220.7
[M]- 477.17929 220.7
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.