CID 2879611

314042-78-9

Structural Information

Molecular Formula
C22H22N2O3S
SMILES
CS(=O)(=O)N(CC(CN1C2=CC=CC=C2C3=CC=CC=C31)O)C4=CC=CC=C4
InChI
InChI=1S/C22H22N2O3S/c1-28(26,27)24(17-9-3-2-4-10-17)16-18(25)15-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,18,25H,15-16H2,1H3
InChIKey
MUGTWDVBZFJDTG-UHFFFAOYSA-N
Compound name
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-phenylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

9
Patents

394.1351 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14238 192.9
[M+Na]+ 417.12432 200.5
[M-H]- 393.12782 200.3
[M+NH4]+ 412.16892 206.5
[M+K]+ 433.09826 195.4
[M+H-H2O]+ 377.13236 185.0
[M+HCOO]- 439.13330 208.3
[M+CH3COO]- 453.14895 202.8
[M+Na-2H]- 415.10977 197.3
[M]+ 394.13455 198.7
[M]- 394.13565 198.7
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

patents stripe