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 229.9
[M+Na]+ 565.07262 240.7
[M-H]- 541.07612 242.2
[M+NH4]+ 560.11722 240.0
[M+K]+ 581.04656 235.4
[M+H-H2O]+ 525.08066 223.6
[M+HCOO]- 587.08160 237.0
[M+CH3COO]- 601.09725 238.9
[M+Na-2H]- 563.05807 229.4
[M]+ 542.08285 244.2
[M]- 542.08395 244.2
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.