PubChemLite - Nsc667917 (C25H26N2O6S)

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

InChI

InChI=1S/C25H26N2O6S/c1-15-4-10-19(11-5-15)34(28,29)27-26-25-16(2)24(17-6-8-18(30-3)9-7-17)20-12-22-23(32-14-31-22)13-21(20)33-25/h4-13,16,24-27H,14H2,1-3H3

InChIKey

ODMPWZTVXJOXSM-UHFFFAOYSA-N

Compound name

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

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]+	483.15843	212.3
[M+Na]+	505.14037	219.0
[M-H]-	481.14387	225.5
[M+NH4]+	500.18497	219.4
[M+K]+	521.11431	218.4
[M+H-H2O]+	465.14841	204.6
[M+HCOO]-	527.14935	224.7
[M+CH3COO]-	541.16500	221.1
[M+Na-2H]-	503.12582	216.5
[M]+	482.15060	218.5
[M]-	482.15170	218.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.15843

212.3

[M+Na]+

505.14037

219.0

[M-H]-

481.14387

225.5

[M+NH4]+

500.18497

219.4

[M+K]+

521.11431

218.4

[M+H-H2O]+

465.14841

204.6

[M+HCOO]-

527.14935

224.7

[M+CH3COO]-

541.16500

221.1

[M+Na-2H]-

503.12582

216.5

[M]+

482.15060

218.5

[M]-

482.15170

218.5

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

Nsc667917

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe