CID 138376141

Fmoc-ala(2-acd)-oh

Structural Information

Molecular Formula
C31H24N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC5=C(C=C4)NC6=CC=CC=C6C5=O)C(=O)O
InChI
InChI=1S/C31H24N2O5/c34-29-23-11-5-6-12-26(23)32-27-14-13-18(15-24(27)29)16-28(30(35)36)33-31(37)38-17-25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-15,25,28H,16-17H2,(H,32,34)(H,33,37)(H,35,36)/t28-/m0/s1
InChIKey
CMMIEUQIDDERGZ-NDEPHWFRSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(9-oxo-10H-acridin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.16852 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.17580 221.3
[M+Na]+ 527.15774 236.0
[M+NH4]+ 522.20234 227.7
[M+K]+ 543.13168 229.3
[M-H]- 503.16124 226.1
[M+Na-2H]- 525.14319 226.2
[M]+ 504.16797 224.7
[M]- 504.16907 224.7
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.