CID 100262

38172-59-7

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

16
Patents

221.09529 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.102566 148.4
[M+Na]+ 244.084508 157.6
[M-H]- 220.088014 153.1
[M+NH4]+ 239.129113 164.4
[M+K]+ 260.058448 151.9
[M+H-H2O]+ 204.092550 139.2
[M+HCOO]- 266.093491 170.3
[M+CH3COO]- 280.109141 160.7
[M+Na-2H]- 242.069956 157.9
[M]+ 221.09474142 146.3
[M]- 221.09583858 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