CID 3068682

3-isoquinolinemethanamine, 3,4-dihydro-n,n-diethyl-7-methyl-1-phenyl-, (z)-2-butenedioate(1:2)

Structural Information

Molecular Formula
C21H26N2
SMILES
CCN(CC)CC1CC2=C(C=C(C=C2)C)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2/c1-4-23(5-2)15-19-14-18-12-11-16(3)13-20(18)21(22-19)17-9-7-6-8-10-17/h6-13,19H,4-5,14-15H2,1-3H3
InChIKey
CLXHBDCMAGTPBH-UHFFFAOYSA-N
Compound name
N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 176.9
[M+Na]+ 329.19882 192.4
[M+NH4]+ 324.24342 186.6
[M+K]+ 345.17276 182.3
[M-H]- 305.20232 183.7
[M+Na-2H]- 327.18427 186.2
[M]+ 306.20905 181.3
[M]- 306.21015 181.3
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.