CID 7010370

Fmoc-n-me-ser(tbu)-oh

Structural Information

Molecular Formula
C23H27NO5
SMILES
CC(C)(C)OC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H27NO5/c1-23(2,3)29-14-20(21(25)26)24(4)22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,25,26)/t20-/m0/s1
InChIKey
PQSAXALAXPNFMG-FQEVSTJZSA-N
Compound name
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

397.18893 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 193.6
[M+Na]+ 420.17815 201.8
[M+NH4]+ 415.22275 199.1
[M+K]+ 436.15209 199.8
[M-H]- 396.18165 193.8
[M+Na-2H]- 418.16360 195.4
[M]+ 397.18838 194.5
[M]- 397.18948 194.5
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