CID 165588262

2-{1h-imidazo[4,5-g]isoquinolin-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H12N4
SMILES
C1=CN=CC2=CC3=C(C=C21)N=C(N3)CCN
InChI
InChI=1S/C12H12N4/c13-3-1-12-15-10-5-8-2-4-14-7-9(8)6-11(10)16-12/h2,4-7H,1,3,13H2,(H,15,16)
InChIKey
YWPVVVMSPOEHHS-UHFFFAOYSA-N
Compound name
2-(3H-imidazo[4,5-g]isoquinolin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1062 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11348 145.2
[M+Na]+ 235.09542 159.4
[M+NH4]+ 230.14002 153.8
[M+K]+ 251.06936 153.8
[M-H]- 211.09892 147.3
[M+Na-2H]- 233.08087 151.9
[M]+ 212.10565 147.7
[M]- 212.10675 147.7
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.