CID 36134

32421-50-4

Structural Information

Molecular Formula
C16H25N3O
SMILES
CCN(CC)CCNC(=O)C1CC2=CC=CC=C2CN1
InChI
InChI=1S/C16H25N3O/c1-3-19(4-2)10-9-17-16(20)15-11-13-7-5-6-8-14(13)12-18-15/h5-8,15,18H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKey
SEUIDLPNRJJFBX-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.19977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.207046 167.0
[M+Na]+ 298.188988 169.6
[M-H]- 274.192494 168.5
[M+NH4]+ 293.233593 181.9
[M+K]+ 314.162928 166.4
[M+H-H2O]+ 258.197030 158.6
[M+HCOO]- 320.197971 185.3
[M+CH3COO]- 334.213621 206.4
[M+Na-2H]- 296.174436 170.5
[M]+ 275.19922142 164.1
[M]- 275.20031858 164.1
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