CID 117393

Brn 0440684

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CN(CCC1=CC(=C(C=C1)OC)OC)CC2CCC3=CC=CC=C3N2
InChI
InChI=1S/C21H28N2O2/c1-23(13-12-16-8-11-20(24-2)21(14-16)25-3)15-18-10-9-17-6-4-5-7-19(17)22-18/h4-8,11,14,18,22H,9-10,12-13,15H2,1-3H3
InChIKey
BFLQZZJZTFQHKJ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-methyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 184.0
[M+Na]+ 363.20432 188.2
[M-H]- 339.20782 189.0
[M+NH4]+ 358.24892 196.5
[M+K]+ 379.17826 183.8
[M+H-H2O]+ 323.21236 174.0
[M+HCOO]- 385.21330 201.8
[M+CH3COO]- 399.22895 217.2
[M+Na-2H]- 361.18977 186.6
[M]+ 340.21455 184.4
[M]- 340.21565 184.4
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.