PubChemLite - Nsc723395 (C24H20N4O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5

InChI

InChI=1S/C24H20N4O3S/c1-15-6-8-16(9-7-15)32(30,31)27-13-12-25-20-14-21(29)24-22-18(10-11-26-23(20)22)17-4-2-3-5-19(17)28-24/h2-11,14,25,27H,12-13H2,1H3

InChIKey

HBALHLONFUQOEK-UHFFFAOYSA-N

Compound name

4-methyl-N-[2-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]benzenesulfonamide

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]+	445.13288	203.4
[M+Na]+	467.11482	212.2
[M-H]-	443.11832	209.0
[M+NH4]+	462.15942	212.5
[M+K]+	483.08876	204.8
[M+H-H2O]+	427.12286	192.7
[M+HCOO]-	489.12380	216.8
[M+CH3COO]-	503.13945	211.5
[M+Na-2H]-	465.10027	213.4
[M]+	444.12505	209.0
[M]-	444.12615	209.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.13288

203.4

[M+Na]+

467.11482

212.2

[M-H]-

443.11832

209.0

[M+NH4]+

462.15942

212.5

[M+K]+

483.08876

204.8

[M+H-H2O]+

427.12286

192.7

[M+HCOO]-

489.12380

216.8

[M+CH3COO]-

503.13945

211.5

[M+Na-2H]-

465.10027

213.4

[M]+

444.12505

209.0

[M]-

444.12615

209.0

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

Nsc723395

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe