CID 7408215

Fmoc-met(o)-oh

Structural Information

Molecular Formula
C20H21NO5S
SMILES
CS(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO5S/c1-27(25)11-10-18(19(22)23)21-20(24)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-,27?/m0/s1
InChIKey
CEHRSUBRZOGRSW-HSYKDVHTSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfinylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

387.11404 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12132 187.7
[M+Na]+ 410.10326 195.7
[M+NH4]+ 405.14786 193.6
[M+K]+ 426.07720 191.2
[M-H]- 386.10676 187.9
[M+Na-2H]- 408.08871 189.3
[M]+ 387.11349 188.9
[M]- 387.11459 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe