CID 3859615

2-(n-propylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCCNC(=O)N1CCC2=CC=CC=C2C1
InChI
InChI=1S/C13H18N2O/c1-2-8-14-13(16)15-9-7-11-5-3-4-6-12(11)10-15/h3-6H,2,7-10H2,1H3,(H,14,16)
InChIKey
JORKKSUCVHWJBE-UHFFFAOYSA-N
Compound name
N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.2
[M+Na]+ 241.131118 155.4
[M-H]- 217.134624 152.4
[M+NH4]+ 236.175723 168.0
[M+K]+ 257.105058 152.4
[M+H-H2O]+ 201.139160 142.7
[M+HCOO]- 263.140101 169.6
[M+CH3COO]- 277.155751 190.8
[M+Na-2H]- 239.116566 156.0
[M]+ 218.14135142 147.5
[M]- 218.14244858 147.5
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