CID 15728412

Boc-ser(tos)-obzl

Structural Information

Molecular Formula
C22H27NO7S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C22H27NO7S/c1-16-10-12-18(13-11-16)31(26,27)29-15-19(23-21(25)30-22(2,3)4)20(24)28-14-17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3,(H,23,25)/t19-/m0/s1
InChIKey
ITSLINPVUWRCFB-IBGZPJMESA-N
Compound name
benzyl (2S)-3-(4-methylphenyl)sulfonyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

449.15082 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.15810 202.4
[M+Na]+ 472.14004 209.9
[M+NH4]+ 467.18464 205.4
[M+K]+ 488.11398 205.7
[M-H]- 448.14354 202.1
[M+Na-2H]- 470.12549 206.9
[M]+ 449.15027 203.5
[M]- 449.15137 203.5
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

No patent data available for this compound.