PubChemLite - 20566-97-6 (C16H20N10O2S)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)(=O)C2=CC=C(C=C2)N=C(N)N=C(N)N

InChI

InChI=1S/C16H20N10O2S/c17-13(18)25-15(21)23-9-1-5-11(6-2-9)29(27,28)12-7-3-10(4-8-12)24-16(22)26-14(19)20/h1-8H,(H6,17,18,21,23,25)(H6,19,20,22,24,26)

InChIKey

DGAIEPXQRXDOIW-UHFFFAOYSA-N

Compound name

2-[4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]sulfonylphenyl]-1-(diaminomethylidene)guanidine

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]+	417.15642	189.2
[M+Na]+	439.13836	189.7
[M+NH4]+	434.18296	191.2
[M+K]+	455.11230	187.8
[M-H]-	415.14186	194.2
[M+Na-2H]-	437.12381	193.4
[M]+	416.14859	189.8
[M]-	416.14969	189.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

417.15642

189.2

[M+Na]+

439.13836

189.7

[M+NH4]+

434.18296

191.2

[M+K]+

455.11230

187.8

[M-H]-

415.14186

194.2

[M+Na-2H]-

437.12381

193.4

[M]+

416.14859

189.8

[M]-

416.14969

189.8

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

20566-97-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe