CID 52637

73826-62-7

Structural Information

Molecular Formula
C30H40N2O2
SMILES
C1CNC(C2=CC=CC=C21)CC(=O)CCCCCCCCC(=O)CC3C4=CC=CC=C4CCN3
InChI
InChI=1S/C30H40N2O2/c33-25(21-29-27-15-9-7-11-23(27)17-19-31-29)13-5-3-1-2-4-6-14-26(34)22-30-28-16-10-8-12-24(28)18-20-32-30/h7-12,15-16,29-32H,1-6,13-14,17-22H2
InChIKey
ZGKQTNYTTPHDRG-UHFFFAOYSA-N
Compound name
1,12-bis(1,2,3,4-tetrahydroisoquinolin-1-yl)dodecane-2,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.309 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.31628 220.9
[M+Na]+ 483.29822 231.3
[M+NH4]+ 478.34282 226.8
[M+K]+ 499.27216 221.6
[M-H]- 459.30172 223.5
[M+Na-2H]- 481.28367 223.2
[M]+ 460.30845 222.9
[M]- 460.30955 222.9
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

No patent data available for this compound.