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]+ 248.175736 157.9
[M+Na]+ 270.157678 161.5
[M-H]- 246.161184 159.9
[M+NH4]+ 265.202283 174.0
[M+K]+ 286.131618 158.8
[M+H-H2O]+ 230.165720 150.0
[M+HCOO]- 292.166661 177.0
[M+CH3COO]- 306.182311 200.4
[M+Na-2H]- 268.143126 162.5
[M]+ 247.16791142 154.4
[M]- 247.16900858 154.4
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.