CID 7010372

117106-20-4

Structural Information

Molecular Formula
C24H29NO5
SMILES
C[C@H]([C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C
InChI
InChI=1S/C24H29NO5/c1-15(30-24(2,3)4)21(22(26)27)25(5)23(28)29-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20-21H,14H2,1-5H3,(H,26,27)/t15-,21+/m1/s1
InChIKey
VIUVLZHFMIFLHU-VFNWGFHPSA-N
Compound name
(2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

411.20456 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21184 196.9
[M+Na]+ 434.19378 204.5
[M+NH4]+ 429.23838 202.1
[M+K]+ 450.16772 203.1
[M-H]- 410.19728 196.8
[M+Na-2H]- 432.17923 198.2
[M]+ 411.20401 197.6
[M]- 411.20511 197.6
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