CID 481342

{3-[(cyclopentylmethyl)(phenylsulfonyl)amino]-2-hydroxypropyl}[(4-methoxyphenyl)sulfonyl]benzylamine

Structural Information

Molecular Formula
C29H36N2O6S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(CN(CC3CCCC3)S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C29H36N2O6S2/c1-37-27-16-18-29(19-17-27)39(35,36)31(20-24-10-4-2-5-11-24)23-26(32)22-30(21-25-12-8-9-13-25)38(33,34)28-14-6-3-7-15-28/h2-7,10-11,14-19,25-26,32H,8-9,12-13,20-23H2,1H3
InChIKey
HDSBYTJEEBCDSA-UHFFFAOYSA-N
Compound name
N-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-benzyl-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.2015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.20878 233.9
[M+Na]+ 595.19072 233.2
[M-H]- 571.19422 244.8
[M+NH4]+ 590.23532 238.1
[M+K]+ 611.16466 229.9
[M+H-H2O]+ 555.19876 224.4
[M+HCOO]- 617.19970 242.9
[M+CH3COO]- 631.21535 251.8
[M+Na-2H]- 593.17617 234.7
[M]+ 572.20095 237.6
[M]- 572.20205 237.6
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.