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

6
Patents

397.18893 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.196206 197.3
[M+Na]+ 420.178148 201.0
[M-H]- 396.181654 200.5
[M+NH4]+ 415.222753 210.9
[M+K]+ 436.152088 198.2
[M+H-H2O]+ 380.186190 190.6
[M+HCOO]- 442.187131 213.5
[M+CH3COO]- 456.202781 222.9
[M+Na-2H]- 418.163596 198.5
[M]+ 397.18838142 201.7
[M]- 397.18947858 201.7
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