CID 481349

[(4-aminophenyl)sulfonyl]{2-hydroxy-3-[(2-methylpropyl)(phenylsulfonyl)amino]propyl}(2-methylpropyl)amine

Structural Information

Molecular Formula
C23H35N3O5S2
SMILES
CC(C)CN(CC(CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)N)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H35N3O5S2/c1-18(2)14-25(32(28,29)22-8-6-5-7-9-22)16-21(27)17-26(15-19(3)4)33(30,31)23-12-10-20(24)11-13-23/h5-13,18-19,21,27H,14-17,24H2,1-4H3
InChIKey
ANQBGZBYDVIABA-UHFFFAOYSA-N
Compound name
4-amino-N-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.2018 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.20908 215.0
[M+Na]+ 520.19102 214.4
[M-H]- 496.19452 219.5
[M+NH4]+ 515.23562 220.5
[M+K]+ 536.16496 211.4
[M+H-H2O]+ 480.19906 205.5
[M+HCOO]- 542.20000 222.5
[M+CH3COO]- 556.21565 246.4
[M+Na-2H]- 518.17647 214.5
[M]+ 497.20125 218.9
[M]- 497.20235 218.9
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.