CID 463108

118112-10-0

Structural Information

Molecular Formula
C20H15N5
SMILES
C1=CC=C2C(=C1)C=C(N=C2N=C(C3=CC=CC=N3)N)C4=CC=CC=N4
InChI
InChI=1S/C20H15N5/c21-19(17-10-4-6-12-23-17)25-20-15-8-2-1-7-14(15)13-18(24-20)16-9-3-5-11-22-16/h1-13H,(H2,21,24,25)
InChIKey
VZJMIYLTPATHJF-UHFFFAOYSA-N
Compound name
N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

27
Patents

325.13275 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14003 176.6
[M+Na]+ 348.12197 183.8
[M-H]- 324.12547 183.6
[M+NH4]+ 343.16657 186.3
[M+K]+ 364.09591 176.4
[M+H-H2O]+ 308.13001 164.1
[M+HCOO]- 370.13095 197.7
[M+CH3COO]- 384.14660 186.2
[M+Na-2H]- 346.10742 185.5
[M]+ 325.13220 174.0
[M]- 325.13330 174.0
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

patents stripe