CID 5279579

N-(2-aminoethyl)-2-quinolinecarboxamide

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1=CC=C2C=NC(=CC2=C1)C(=O)NCCN
InChI
InChI=1S/C12H13N3O/c13-5-6-14-12(16)11-7-9-3-1-2-4-10(9)8-15-11/h1-4,7-8H,5-6,13H2,(H,14,16)
InChIKey
SFAOPEJLNDUXLZ-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)isoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

215.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 146.2
[M+Na]+ 238.09509 153.0
[M-H]- 214.09859 148.8
[M+NH4]+ 233.13969 163.6
[M+K]+ 254.06903 149.4
[M+H-H2O]+ 198.10313 138.5
[M+HCOO]- 260.10407 169.2
[M+CH3COO]- 274.11972 192.2
[M+Na-2H]- 236.08054 154.1
[M]+ 215.10532 144.5
[M]- 215.10642 144.5
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