CID 9888792

169280-56-2

Structural Information

Molecular Formula
C20H29N3O3S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C20H29N3O3S/c1-15(2)13-23(27(25,26)18-10-8-17(21)9-11-18)14-20(24)19(22)12-16-6-4-3-5-7-16/h3-11,15,19-20,24H,12-14,21-22H2,1-2H3/t19-,20+/m0/s1
InChIKey
NUMJNKDUHFCFJO-VQTJNVASSA-N
Compound name
4-amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

391.19296 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20024 191.7
[M+Na]+ 414.18218 198.2
[M+NH4]+ 409.22678 196.5
[M+K]+ 430.15612 193.2
[M-H]- 390.18568 194.4
[M+Na-2H]- 412.16763 196.5
[M]+ 391.19241 193.4
[M]- 391.19351 193.4
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.