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

3
Patents

218.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.2
[M+Na]+ 241.13112 155.4
[M-H]- 217.13462 152.4
[M+NH4]+ 236.17572 168.0
[M+K]+ 257.10506 152.4
[M+H-H2O]+ 201.13916 142.7
[M+HCOO]- 263.14010 169.6
[M+CH3COO]- 277.15575 190.8
[M+Na-2H]- 239.11657 156.0
[M]+ 218.14135 147.5
[M]- 218.14245 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