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]+ 230.12878 150.7
[M+Na]+ 252.11072 157.1
[M-H]- 228.11422 153.1
[M+NH4]+ 247.15532 167.5
[M+K]+ 268.08466 153.3
[M+H-H2O]+ 212.11876 142.9
[M+HCOO]- 274.11970 173.5
[M+CH3COO]- 288.13535 195.2
[M+Na-2H]- 250.09617 158.1
[M]+ 229.12095 149.3
[M]- 229.12205 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.