CID 16076283

627520-04-1

Structural Information

Molecular Formula
C26H36N2
SMILES
C1CCC2C(C1)CCCN2CCNCCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H36N2/c1-3-10-22(11-4-1)25(23-12-5-2-6-13-23)17-18-27-19-21-28-20-9-15-24-14-7-8-16-26(24)28/h1-6,10-13,24-27H,7-9,14-21H2
InChIKey
JNFPTRGBLPJLJX-UHFFFAOYSA-N
Compound name
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-3,3-diphenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.28784 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.29512 194.4
[M+Na]+ 399.27706 192.6
[M-H]- 375.28056 199.6
[M+NH4]+ 394.32166 203.8
[M+K]+ 415.25100 185.7
[M+H-H2O]+ 359.28510 182.2
[M+HCOO]- 421.28604 206.9
[M+CH3COO]- 435.30169 199.8
[M+Na-2H]- 397.26251 195.0
[M]+ 376.28729 185.5
[M]- 376.28839 185.5
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.