PubChemLite - Nsc667924 (C27H30N2O8S)

Structural Information

Molecular Formula

SMILES

CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C27H30N2O8S/c1-15-6-8-18(9-7-15)38(30,31)29-28-27-16(2)25(17-10-23(32-3)26(34-5)24(11-17)33-4)19-12-21-22(36-14-35-21)13-20(19)37-27/h6-13,16,25,27-29H,14H2,1-5H3

InChIKey

IHRHBTUTNJIKMJ-UHFFFAOYSA-N

Compound name

4-methyl-N'-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]benzenesulfonohydrazide

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]+	543.17958	227.9
[M+Na]+	565.16152	234.0
[M-H]-	541.16502	241.2
[M+NH4]+	560.20612	232.5
[M+K]+	581.13546	235.1
[M+H-H2O]+	525.16956	219.7
[M+HCOO]-	587.17050	239.5
[M+CH3COO]-	601.18615	254.9
[M+Na-2H]-	563.14697	230.9
[M]+	542.17175	238.1
[M]-	542.17285	238.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

543.17958

227.9

[M+Na]+

565.16152

234.0

[M-H]-

541.16502

241.2

[M+NH4]+

560.20612

232.5

[M+K]+

581.13546

235.1

[M+H-H2O]+

525.16956

219.7

[M+HCOO]-

587.17050

239.5

[M+CH3COO]-

601.18615

254.9

[M+Na-2H]-

563.14697

230.9

[M]+

542.17175

238.1

[M]-

542.17285

238.1

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

Nsc667924

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe