CID 132391175

2173637-94-8

Structural Information

Molecular Formula
C27H25NO4
SMILES
C1CC2=C(C1)C=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H25NO4/c29-26(30)25(15-17-12-13-18-6-5-7-19(18)14-17)28-27(31)32-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-4,8-14,24-25H,5-7,15-16H2,(H,28,31)(H,29,30)/t25-/m0/s1
InChIKey
DIKLWPNNKPSXPQ-VWLOTQADSA-N
Compound name
(2S)-3-(2,3-dihydro-1H-inden-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.17834 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18562 202.2
[M+Na]+ 450.16756 205.6
[M-H]- 426.17106 209.7
[M+NH4]+ 445.21216 216.6
[M+K]+ 466.14150 200.4
[M+H-H2O]+ 410.17560 194.8
[M+HCOO]- 472.17654 218.7
[M+CH3COO]- 486.19219 210.2
[M+Na-2H]- 448.15301 200.6
[M]+ 427.17779 202.9
[M]- 427.17889 202.9
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.