PubChemLite - Robenidine (C15H13Cl2N5)

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂N₅

SMILES

C1=CC(=CC=C1/C=N/N/C(=N/N=C/C2=CC=C(C=C2)Cl)/N)Cl

InChI

InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9+,20-10+

InChIKey

MOOFYEJFXBSZGE-LQGKIZFRSA-N

Compound name

1,2-bis[(E)-(4-chlorophenyl)methylideneamino]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]+	334.06208	176.9
[M+Na]+	356.04402	189.4
[M+NH4]+	351.08862	184.9
[M+K]+	372.01796	179.9
[M-H]-	332.04752	184.2
[M+Na-2H]-	354.02947	186.4
[M]+	333.05425	181.1
[M]-	333.05535	181.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

334.06208

176.9

[M+Na]+

356.04402

189.4

[M+NH4]+

351.08862

184.9

[M+K]+

372.01796

179.9

[M-H]-

332.04752

184.2

[M+Na-2H]-

354.02947

186.4

[M]+

333.05425

181.1

[M]-

333.05535

181.1

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

Robenidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe