CID 217001

37989-05-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

literature stripe

Patent stripe

patents stripe