CID 5279580

N-(3-aminopropyl)isoquinoline-3-carboxamide

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1=CC=C2C=NC(=CC2=C1)C(=O)NCCCN
InChI
InChI=1S/C13H15N3O/c14-6-3-7-15-13(17)12-8-10-4-1-2-5-11(10)9-16-12/h1-2,4-5,8-9H,3,6-7,14H2,(H,15,17)
InChIKey
CUDZJYISWMFELV-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)isoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 150.7
[M+Na]+ 252.110718 157.1
[M-H]- 228.114224 153.1
[M+NH4]+ 247.155323 167.5
[M+K]+ 268.084658 153.3
[M+H-H2O]+ 212.118760 142.9
[M+HCOO]- 274.119701 173.5
[M+CH3COO]- 288.135351 195.2
[M+Na-2H]- 250.096166 158.1
[M]+ 229.12095142 149.3
[M]- 229.12204858 149.3
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

No patent data available for this compound.