CID 39651

50341-85-0

Structural Information

Molecular Formula
C14H21N3O
SMILES
CN(C)CCNC(=O)C1CC2=CC=CC=C2CN1
InChI
InChI=1S/C14H21N3O/c1-17(2)8-7-15-14(18)13-9-11-5-3-4-6-12(11)10-16-13/h3-6,13,16H,7-10H2,1-2H3,(H,15,18)
InChIKey
HGELOQHEYZXOJS-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 158.6
[M+Na]+ 270.15768 168.1
[M+NH4]+ 265.20228 166.2
[M+K]+ 286.13162 162.0
[M-H]- 246.16118 161.1
[M+Na-2H]- 268.14313 163.2
[M]+ 247.16791 160.3
[M]- 247.16901 160.3
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.