CID 481331

3-({2-hydroxy-3-[(2-methylpropyl)(phenylsulfonyl)amino]propyl}amino)-4-(phenylsulfonyl)thiophene

Structural Information

Molecular Formula
C23H28N2O5S3
SMILES
CC(C)CN(CC(CNC1=CSC=C1S(=O)(=O)C2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H28N2O5S3/c1-18(2)14-25(33(29,30)21-11-7-4-8-12-21)15-19(26)13-24-22-16-31-17-23(22)32(27,28)20-9-5-3-6-10-20/h3-12,16-19,24,26H,13-15H2,1-2H3
InChIKey
VGMWKLLROXDNTA-UHFFFAOYSA-N
Compound name
N-[3-[[4-(benzenesulfonyl)thiophen-3-yl]amino]-2-hydroxypropyl]-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.11603 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.12331 219.8
[M+Na]+ 531.10525 222.1
[M-H]- 507.10875 226.4
[M+NH4]+ 526.14985 226.7
[M+K]+ 547.07919 215.6
[M+H-H2O]+ 491.11329 211.8
[M+HCOO]- 553.11423 224.6
[M+CH3COO]- 567.12988 237.5
[M+Na-2H]- 529.09070 221.6
[M]+ 508.11548 222.9
[M]- 508.11658 222.9
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.