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 198.1
[M+Na]+ 416.18322 201.4
[M-H]- 392.18672 200.7
[M+NH4]+ 411.22782 211.6
[M+K]+ 432.15716 196.2
[M+H-H2O]+ 376.19126 190.4
[M+HCOO]- 438.19220 215.5
[M+CH3COO]- 452.20785 223.2
[M+Na-2H]- 414.16867 197.2
[M]+ 393.19345 201.1
[M]- 393.19455 201.1
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