CID 9575398

Chembl303377

Structural Information

Molecular Formula
C16H13Cl2N5
SMILES
C1=CC(=C(C(=C1)Cl)C/C(=N/C(=NC2=CC=C(C=C2)C#N)N)/N)Cl
InChI
InChI=1S/C16H13Cl2N5/c17-13-2-1-3-14(18)12(13)8-15(20)23-16(21)22-11-6-4-10(9-19)5-7-11/h1-7H,8H2,(H4,20,21,22,23)
InChIKey
HZCQEPUEQYPGAF-UHFFFAOYSA-N
Compound name
N'-[N'-(4-cyanophenyl)carbamimidoyl]-2-(2,6-dichlorophenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.0548 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.06208 192.1
[M+Na]+ 368.04402 201.5
[M-H]- 344.04752 197.8
[M+NH4]+ 363.08862 204.5
[M+K]+ 384.01796 193.9
[M+H-H2O]+ 328.05206 178.5
[M+HCOO]- 390.05300 206.5
[M+CH3COO]- 404.06865 230.1
[M+Na-2H]- 366.02947 191.6
[M]+ 345.05425 187.3
[M]- 345.05535 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.