CID 22489160

N,n'-[biphenyl-4,4'-diyldi(2r)propane-2,1-diyl]dimethanesulfonamide

Structural Information

Molecular Formula
C20H28N2O4S2
SMILES
C[C@@H](CNS(=O)(=O)C)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H](C)CNS(=O)(=O)C
InChI
InChI=1S/C20H28N2O4S2/c1-15(13-21-27(3,23)24)17-5-9-19(10-6-17)20-11-7-18(8-12-20)16(2)14-22-28(4,25)26/h5-12,15-16,21-22H,13-14H2,1-4H3/t15-,16-/m0/s1
InChIKey
ZESUARCHWPARIF-HOTGVXAUSA-N
Compound name
N-[(2R)-2-[4-[4-[(2R)-1-(methanesulfonamido)propan-2-yl]phenyl]phenyl]propyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.14905 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.15633 198.3
[M+Na]+ 447.13827 202.0
[M-H]- 423.14177 203.3
[M+NH4]+ 442.18287 207.6
[M+K]+ 463.11221 196.2
[M+H-H2O]+ 407.14631 189.8
[M+HCOO]- 469.14725 207.9
[M+CH3COO]- 483.16290 227.6
[M+Na-2H]- 445.12372 199.8
[M]+ 424.14850 201.9
[M]- 424.14960 201.9
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

No patent data available for this compound.