CID 481347

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

Structural Information

Molecular Formula
C24H36N2O6S2
SMILES
CC(C)CN(CC(CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)OC)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H36N2O6S2/c1-19(2)15-25(33(28,29)23-9-7-6-8-10-23)17-21(27)18-26(16-20(3)4)34(30,31)24-13-11-22(32-5)12-14-24/h6-14,19-21,27H,15-18H2,1-5H3
InChIKey
HKMNHZOFQVDLDU-UHFFFAOYSA-N
Compound name
N-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.2015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.20878 218.9
[M+Na]+ 535.19072 218.6
[M-H]- 511.19422 224.0
[M+NH4]+ 530.23532 224.4
[M+K]+ 551.16466 216.4
[M+H-H2O]+ 495.19876 209.4
[M+HCOO]- 557.19970 226.1
[M+CH3COO]- 571.21535 246.5
[M+Na-2H]- 533.17617 218.5
[M]+ 512.20095 226.3
[M]- 512.20205 226.3
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.