CID 10789768

208582-08-5

Structural Information

Molecular Formula
C29H25NO4
SMILES
C[C@@H](C1=CC2=CC=CC=C2C=C1)[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C29H25NO4/c1-18(20-15-14-19-8-2-3-9-21(19)16-20)27(28(31)32)30-29(33)34-17-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h2-16,18,26-27H,17H2,1H3,(H,30,33)(H,31,32)/t18-,27-/m0/s1
InChIKey
JWVGWYBTUATLBK-MYUZEXMDSA-N
Compound name
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-2-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.17834 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.18562 208.4
[M+Na]+ 474.16756 211.5
[M-H]- 450.17106 215.4
[M+NH4]+ 469.21216 219.6
[M+K]+ 490.14150 206.4
[M+H-H2O]+ 434.17560 199.3
[M+HCOO]- 496.17654 223.5
[M+CH3COO]- 510.19219 215.5
[M+Na-2H]- 472.15301 208.4
[M]+ 451.17779 209.4
[M]- 451.17889 209.4
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.