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

0
Patents

275.19977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.20705 167.0
[M+Na]+ 298.18899 169.6
[M-H]- 274.19249 168.5
[M+NH4]+ 293.23359 181.9
[M+K]+ 314.16293 166.4
[M+H-H2O]+ 258.19703 158.6
[M+HCOO]- 320.19797 185.3
[M+CH3COO]- 334.21362 206.4
[M+Na-2H]- 296.17444 170.5
[M]+ 275.19922 164.1
[M]- 275.20032 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