CID 9975921

627520-82-5

Structural Information

Molecular Formula
C25H34N2
SMILES
C1CCC2C(C1)CCCN2CCNCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H34N2/c1-3-10-21(11-4-1)24(22-12-5-2-6-13-22)20-26-17-19-27-18-9-15-23-14-7-8-16-25(23)27/h1-6,10-13,23-26H,7-9,14-20H2
InChIKey
XXFXEFXDORMING-UHFFFAOYSA-N
Compound name
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]-2,2-diphenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

362.2722 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.27948 190.1
[M+Na]+ 385.26142 188.8
[M-H]- 361.26492 195.5
[M+NH4]+ 380.30602 200.1
[M+K]+ 401.23536 182.1
[M+H-H2O]+ 345.26946 178.2
[M+HCOO]- 407.27040 203.0
[M+CH3COO]- 421.28605 196.0
[M+Na-2H]- 383.24687 191.2
[M]+ 362.27165 180.9
[M]- 362.27275 180.9
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