CID 100262

Isoquinoline, 1-amino-3-(3-pyridyl)-

Structural Information

Molecular Formula
C14H11N3
SMILES
C1=CC=C2C(=C1)C=C(N=C2N)C3=CN=CC=C3
InChI
InChI=1S/C14H11N3/c15-14-12-6-2-1-4-10(12)8-13(17-14)11-5-3-7-16-9-11/h1-9H,(H2,15,17)
InChIKey
HKTHEKGLHMSGCU-UHFFFAOYSA-N
Compound name
3-pyridin-3-ylisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

221.09529 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10257 148.4
[M+Na]+ 244.08451 157.6
[M-H]- 220.08801 153.1
[M+NH4]+ 239.12911 164.4
[M+K]+ 260.05845 151.9
[M+H-H2O]+ 204.09255 139.2
[M+HCOO]- 266.09349 170.3
[M+CH3COO]- 280.10914 160.7
[M+Na-2H]- 242.06996 157.9
[M]+ 221.09474 146.3
[M]- 221.09584 146.3
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

patents stripe