CID 9543486

N-[(2r,3s)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide

Structural Information

Molecular Formula
C20H22N2O3S
SMILES
C1=CC=C(C=C1)C[C@@H]([C@@H](CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)O)N
InChI
InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1
InChIKey
QSSWSEQPKCCATQ-VQTJNVASSA-N
Compound name
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

370.1351 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14238 183.5
[M+Na]+ 393.12432 187.4
[M-H]- 369.12782 188.1
[M+NH4]+ 388.16892 194.8
[M+K]+ 409.09826 181.9
[M+H-H2O]+ 353.13236 175.5
[M+HCOO]- 415.13330 197.7
[M+CH3COO]- 429.14895 216.5
[M+Na-2H]- 391.10977 187.6
[M]+ 370.13455 183.1
[M]- 370.13565 183.1
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