CID 2734456

Fmoc-d-4-thiazolylalanine

Structural Information

Molecular Formula
C21H18N2O4S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CSC=N4)C(=O)O
InChI
InChI=1S/C21H18N2O4S/c24-20(25)19(9-13-11-28-12-22-13)23-21(26)27-10-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11-12,18-19H,9-10H2,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKey
LSBAZFASKHLHKB-LJQANCHMSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,3-thiazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

394.09872 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.105996 191.7
[M+Na]+ 417.087938 197.6
[M-H]- 393.091444 198.0
[M+NH4]+ 412.132543 206.4
[M+K]+ 433.061878 193.5
[M+H-H2O]+ 377.095980 185.3
[M+HCOO]- 439.096921 206.5
[M+CH3COO]- 453.112571 201.0
[M+Na-2H]- 415.073386 191.1
[M]+ 394.09817142 196.5
[M]- 394.09926858 196.5
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