CID 3822887

309928-50-5

Structural Information

Molecular Formula
C29H28N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C5=CC=C(C=C5)OC
InChI
InChI=1S/C29H28N2O4S/c1-21-11-17-25(18-12-21)36(33,34)31(22-13-15-24(35-2)16-14-22)20-23(32)19-30-28-9-5-3-7-26(28)27-8-4-6-10-29(27)30/h3-18,23,32H,19-20H2,1-2H3
InChIKey
CEVIHNFXHPGIJT-UHFFFAOYSA-N
Compound name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

500.17697 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.18425 221.3
[M+Na]+ 523.16619 227.9
[M-H]- 499.16969 231.5
[M+NH4]+ 518.21079 230.0
[M+K]+ 539.14013 222.5
[M+H-H2O]+ 483.17423 211.6
[M+HCOO]- 545.17517 235.5
[M+CH3COO]- 559.19082 229.2
[M+Na-2H]- 521.15164 223.6
[M]+ 500.17642 228.6
[M]- 500.17752 228.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.