CID 117378

27114-41-6

Structural Information

Molecular Formula
C20H26N2
SMILES
CC1=C(C=C(C=C1)CCNCC2CCC3=CC=CC=C3N2)C
InChI
InChI=1S/C20H26N2/c1-15-7-8-17(13-16(15)2)11-12-21-14-19-10-9-18-5-3-4-6-20(18)22-19/h3-8,13,19,21-22H,9-12,14H2,1-2H3
InChIKey
FCLURBIAJOWDDO-UHFFFAOYSA-N
Compound name
2-(3,4-dimethylphenyl)-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 172.7
[M+Na]+ 317.19882 177.6
[M-H]- 293.20232 176.5
[M+NH4]+ 312.24342 186.8
[M+K]+ 333.17276 170.8
[M+H-H2O]+ 277.20686 163.6
[M+HCOO]- 339.20780 190.1
[M+CH3COO]- 353.22345 182.0
[M+Na-2H]- 315.18427 176.6
[M]+ 294.20905 168.8
[M]- 294.21015 168.8
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.