CID 44784800

Fmoc-d-asu-oh

Structural Information

Molecular Formula
C23H25NO6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCCCCC(=O)O)C(=O)O
InChI
InChI=1S/C23H25NO6/c25-21(26)13-3-1-2-12-20(22(27)28)24-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,1-3,12-14H2,(H,24,29)(H,25,26)(H,27,28)/t20-/m1/s1
InChIKey
IMAOCPQKEUWDNC-HXUWFJFHSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)octanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

411.16818 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17546 197.6
[M+Na]+ 434.15740 204.6
[M+NH4]+ 429.20200 201.7
[M+K]+ 450.13134 202.2
[M-H]- 410.16090 196.6
[M+Na-2H]- 432.14285 197.5
[M]+ 411.16763 197.7
[M]- 411.16873 197.7
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.