CID 128799

Fmoc-cys(acm)-oh

Structural Information

Molecular Formula
C21H22N2O5S
SMILES
CC(=O)NCSC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H22N2O5S/c1-13(24)22-12-29-11-19(20(25)26)23-21(27)28-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-12H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t19-/m0/s1
InChIKey
CSMYOORPUGPKAP-IBGZPJMESA-N
Compound name
(2R)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1007
Patents

414.12494 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13222 195.0
[M+Na]+ 437.11416 201.4
[M+NH4]+ 432.15876 200.1
[M+K]+ 453.08810 197.2
[M-H]- 413.11766 195.3
[M+Na-2H]- 435.09961 196.2
[M]+ 414.12439 195.9
[M]- 414.12549 195.9
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