CID 44648

63732-06-9

Structural Information

Molecular Formula
C25H34N2
SMILES
C1CN(CC2=CC=CC=C21)CCCCCCCN3CCC4=CC=CC=C4C3
InChI
InChI=1S/C25H34N2/c1(2-8-16-26-18-14-22-10-4-6-12-24(22)20-26)3-9-17-27-19-15-23-11-5-7-13-25(23)21-27/h4-7,10-13H,1-3,8-9,14-21H2
InChIKey
YCNTWXGZBSKTFI-UHFFFAOYSA-N
Compound name
2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)heptyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2722 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.279476 193.5
[M+Na]+ 385.261418 195.3
[M-H]- 361.264924 195.8
[M+NH4]+ 380.306023 204.2
[M+K]+ 401.235358 187.5
[M+H-H2O]+ 345.269460 181.1
[M+HCOO]- 407.270401 204.7
[M+CH3COO]- 421.286051 199.7
[M+Na-2H]- 383.246866 195.7
[M]+ 362.27165142 189.0
[M]- 362.27274858 189.0
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.