CID 463108

Nsc637578

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

18
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.