CID 22216088

N-(1-naphthalenesulfonyl)-l-phenylalanyl chloride

Structural Information

Molecular Formula
C19H16ClNO3S
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)Cl)NS(=O)(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H16ClNO3S/c20-19(22)17(13-14-7-2-1-3-8-14)21-25(23,24)18-12-6-10-15-9-4-5-11-16(15)18/h1-12,17,21H,13H2/t17-/m0/s1
InChIKey
CDECDNASIKPCAM-KRWDZBQOSA-N
Compound name
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

373.05396 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.06124 182.3
[M+Na]+ 396.04318 189.2
[M-H]- 372.04668 189.4
[M+NH4]+ 391.08778 195.8
[M+K]+ 412.01712 182.8
[M+H-H2O]+ 356.05122 175.3
[M+HCOO]- 418.05216 193.8
[M+CH3COO]- 432.06781 213.9
[M+Na-2H]- 394.02863 186.9
[M]+ 373.05341 186.7
[M]- 373.05451 186.7
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