CID 11406014

N-(4-nitrophenylsulfonyl)-l-phenylalanyl chloride

Structural Information

Molecular Formula
C15H13ClN2O5S
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)Cl)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13ClN2O5S/c16-15(19)14(10-11-4-2-1-3-5-11)17-24(22,23)13-8-6-12(7-9-13)18(20)21/h1-9,14,17H,10H2/t14-/m0/s1
InChIKey
RYQIQECSYJRDBT-AWEZNQCLSA-N
Compound name
(2S)-2-[(4-nitrophenyl)sulfonylamino]-3-phenylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

368.02338 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03066 174.5
[M+Na]+ 391.01260 186.3
[M+NH4]+ 386.05720 180.5
[M+K]+ 406.98654 182.0
[M-H]- 367.01610 177.9
[M+Na-2H]- 388.99805 181.6
[M]+ 368.02283 177.6
[M]- 368.02393 177.6
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