CID 478472

N-[(2s)-2-(3-chlorophenyl)-4-(3-phenylpropylamino)butyl]-n-methyl-benzenesulfonamide

Structural Information

Molecular Formula
C26H31ClN2O2S
SMILES
CN(C[C@@H](CCNCCCC1=CC=CC=C1)C2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H31ClN2O2S/c1-29(32(30,31)26-15-6-3-7-16-26)21-24(23-13-8-14-25(27)20-23)17-19-28-18-9-12-22-10-4-2-5-11-22/h2-8,10-11,13-16,20,24,28H,9,12,17-19,21H2,1H3/t24-/m1/s1
InChIKey
IDSDWXJYHJKILA-XMMPIXPASA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-(3-phenylpropylamino)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.17947 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.18675 213.6
[M+Na]+ 493.16869 216.8
[M-H]- 469.17219 222.9
[M+NH4]+ 488.21329 222.2
[M+K]+ 509.14263 209.6
[M+H-H2O]+ 453.17673 203.6
[M+HCOO]- 515.17767 226.3
[M+CH3COO]- 529.19332 238.5
[M+Na-2H]- 491.15414 214.7
[M]+ 470.17892 219.2
[M]- 470.18002 219.2
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.