CID 74788505

1820583-73-0

Structural Information

Molecular Formula
C23H27NO5
SMILES
CC(C)(C)OC[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H27NO5/c1-23(2,3)29-13-15(12-21(25)26)24-22(27)28-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20H,12-14H2,1-3H3,(H,24,27)(H,25,26)/t15-/m0/s1
InChIKey
SKYFRYZPXHNPOK-HNNXBMFYSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

397.18893 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 194.9
[M+Na]+ 420.17815 202.9
[M+NH4]+ 415.22275 200.1
[M+K]+ 436.15209 200.3
[M-H]- 396.18165 194.8
[M+Na-2H]- 418.16360 196.4
[M]+ 397.18838 195.6
[M]- 397.18948 195.6
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