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]+	334.062076	180.0
[M+Na]+	356.044018	187.1
[M-H]-	332.047524	189.0
[M+NH4]+	351.088623	195.2
[M+K]+	372.017958	180.8
[M+H-H2O]+	316.052060	171.9
[M+HCOO]-	378.053001	202.6
[M+CH3COO]-	392.068651	222.7
[M+Na-2H]-	354.029466	185.1
[M]+	333.05425142	182.1
[M]-	333.05534858	182.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

334.062076

180.0

[M+Na]+

356.044018

187.1

[M-H]-

332.047524

189.0

[M+NH4]+

351.088623

195.2

[M+K]+

372.017958

180.8

[M+H-H2O]+

316.052060

171.9

[M+HCOO]-

378.053001

202.6

[M+CH3COO]-

392.068651

222.7

[M+Na-2H]-

354.029466

185.1

[M]+

333.05425142

182.1

[M]-

333.05534858

182.1

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