CID 3129555

314042-74-5

Structural Information

Molecular Formula
C27H24Cl2N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CO2)CC(CN3C4=C(C=C(C=C4)Cl)C5=C3C=CC(=C5)Cl)O
InChI
InChI=1S/C27H24Cl2N2O4S/c1-18-4-8-23(9-5-18)36(33,34)30(17-22-3-2-12-35-22)15-21(32)16-31-26-10-6-19(28)13-24(26)25-14-20(29)7-11-27(25)31/h2-14,21,32H,15-17H2,1H3
InChIKey
KNYLHCADWJICSL-UHFFFAOYSA-N
Compound name
N-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.0834 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.09068 227.3
[M+Na]+ 565.07262 243.5
[M+NH4]+ 560.11722 234.7
[M+K]+ 581.04656 236.1
[M-H]- 541.07612 234.4
[M+Na-2H]- 563.05807 234.5
[M]+ 542.08285 233.0
[M]- 542.08395 233.0
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.