CID 59426677

1058705-57-9

Structural Information

Molecular Formula
C24H27NO4
SMILES
C=CCCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H27NO4/c1-2-3-4-5-6-15-22(23(26)27)25-24(28)29-16-21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h2,7-14,21-22H,1,3-6,15-16H2,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKey
QIEFPAUZXDGSBE-QFIPXVFZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)non-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

393.194 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 197.2
[M+Na]+ 416.18322 205.9
[M+NH4]+ 411.22782 202.8
[M+K]+ 432.15716 201.0
[M-H]- 392.18672 197.9
[M+Na-2H]- 414.16867 198.6
[M]+ 393.19345 198.2
[M]- 393.19455 198.2
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

patents stripe