PubChemLite - 321689-26-3 (C32H28N2O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C32H28N2O3S/c1-23-14-18-28(19-15-23)38(36,37)34(26-17-16-24-8-2-3-9-25(24)20-26)22-27(35)21-33-31-12-6-4-10-29(31)30-11-5-7-13-32(30)33/h2-20,27,35H,21-22H2,1H3

InChIKey

RTDHGDSLVDRSGB-UHFFFAOYSA-N

Compound name

N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methyl-N-naphthalen-2-ylbenzenesulfonamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	521.18935	226.2
[M+Na]+	543.17129	233.6
[M-H]-	519.17479	237.1
[M+NH4]+	538.21589	234.7
[M+K]+	559.14523	226.7
[M+H-H2O]+	503.17933	215.9
[M+HCOO]-	565.18027	239.8
[M+CH3COO]-	579.19592	233.6
[M+Na-2H]-	541.15674	230.4
[M]+	520.18152	232.7
[M]-	520.18262	232.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.18935

226.2

[M+Na]+

543.17129

233.6

[M-H]-

519.17479

237.1

[M+NH4]+

538.21589

234.7

[M+K]+

559.14523

226.7

[M+H-H2O]+

503.17933

215.9

[M+HCOO]-

565.18027

239.8

[M+CH3COO]-

579.19592

233.6

[M+Na-2H]-

541.15674

230.4

[M]+

520.18152

232.7

[M]-

520.18262

232.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

321689-26-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe