CID 44784800

218457-78-4

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 197.8
[M+Na]+ 434.15740 200.3
[M-H]- 410.16090 199.3
[M+NH4]+ 429.20200 209.6
[M+K]+ 450.13134 196.9
[M+H-H2O]+ 394.16544 190.6
[M+HCOO]- 456.16638 213.4
[M+CH3COO]- 470.18203 223.4
[M+Na-2H]- 432.14285 196.6
[M]+ 411.16763 201.0
[M]- 411.16873 201.0
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.