CID 2900185

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

Structural Information

Molecular Formula
C14H20N2O
SMILES
CCCCNC(=O)N1CCC2=CC=CC=C2C1
InChI
InChI=1S/C14H20N2O/c1-2-3-9-15-14(17)16-10-8-12-6-4-5-7-13(12)11-16/h4-7H,2-3,8-11H2,1H3,(H,15,17)
InChIKey
MPGHTXLKWNDCHB-UHFFFAOYSA-N
Compound name
N-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

21
Patents

232.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 154.8
[M+Na]+ 255.14678 159.6
[M-H]- 231.15028 156.8
[M+NH4]+ 250.19138 172.0
[M+K]+ 271.12072 156.3
[M+H-H2O]+ 215.15482 147.1
[M+HCOO]- 277.15576 173.8
[M+CH3COO]- 291.17141 193.8
[M+Na-2H]- 253.13223 160.1
[M]+ 232.15701 152.4
[M]- 232.15811 152.4
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