CID 463104

Chembl338501

Structural Information

Molecular Formula
C21H14Cl2N4
SMILES
C1=CC=C2C(=C1)C=C(N=C2N=C(C3=CC(=C(C=C3)Cl)Cl)N)C4=CC=CC=N4
InChI
InChI=1S/C21H14Cl2N4/c22-16-9-8-14(11-17(16)23)20(24)27-21-15-6-2-1-5-13(15)12-19(26-21)18-7-3-4-10-25-18/h1-12H,(H2,24,26,27)
InChIKey
AATUFSKEEYLIOJ-UHFFFAOYSA-N
Compound name
3,4-dichloro-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

392.05954 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06682 191.2
[M+Na]+ 415.04876 200.9
[M-H]- 391.05226 198.7
[M+NH4]+ 410.09336 201.5
[M+K]+ 431.02270 191.7
[M+H-H2O]+ 375.05680 180.2
[M+HCOO]- 437.05774 203.6
[M+CH3COO]- 451.07339 200.5
[M+Na-2H]- 413.03421 196.1
[M]+ 392.05899 193.4
[M]- 392.06009 193.4
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.