CID 11123257

(2s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-6-{[(prop-2-en-1-yloxy)carbonyl]amino}hexanoic acid

Structural Information

Molecular Formula
C25H28N2O6
SMILES
C=CCOC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H28N2O6/c1-2-15-32-24(30)26-14-8-7-13-22(23(28)29)27-25(31)33-16-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-6,9-12,21-22H,1,7-8,13-16H2,(H,26,30)(H,27,31)(H,28,29)/t22-/m0/s1
InChIKey
OJBNDXHENJDCBA-QFIPXVFZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1622
Patents

452.19473 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.20201 208.4
[M+Na]+ 475.18395 209.7
[M-H]- 451.18745 210.8
[M+NH4]+ 470.22855 218.7
[M+K]+ 491.15789 206.5
[M+H-H2O]+ 435.19199 200.2
[M+HCOO]- 497.19293 226.0
[M+CH3COO]- 511.20858 234.8
[M+Na-2H]- 473.16940 207.3
[M]+ 452.19418 212.4
[M]- 452.19528 212.4
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.