CID 9823454

(2r)-n-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide

Structural Information

Molecular Formula
C23H20N2O4S
SMILES
C1=CC=C2C=C(C=CC2=C1)C[C@H](C(=O)NO)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C23H20N2O4S/c26-23(24-27)22(14-16-9-10-17-5-1-3-7-19(17)13-16)25-30(28,29)21-12-11-18-6-2-4-8-20(18)15-21/h1-13,15,22,25,27H,14H2,(H,24,26)/t22-/m1/s1
InChIKey
MMOUXLMPQFMDRD-JOCHJYFZSA-N
Compound name
(2R)-N-hydroxy-3-naphthalen-2-yl-2-(naphthalen-2-ylsulfonylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

16
Patents

420.11438 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12166 193.3
[M+Na]+ 443.10360 198.9
[M-H]- 419.10710 199.7
[M+NH4]+ 438.14820 203.6
[M+K]+ 459.07754 193.2
[M+H-H2O]+ 403.11164 184.7
[M+HCOO]- 465.11258 208.5
[M+CH3COO]- 479.12823 225.7
[M+Na-2H]- 441.08905 201.1
[M]+ 420.11383 196.0
[M]- 420.11493 196.0
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