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 217.8
[M+Na]+ 483.29822 216.0
[M-H]- 459.30172 216.5
[M+NH4]+ 478.34282 222.4
[M+K]+ 499.27216 207.1
[M+H-H2O]+ 443.30626 205.6
[M+HCOO]- 505.30720 222.9
[M+CH3COO]- 519.32285 233.3
[M+Na-2H]- 481.28367 215.0
[M]+ 460.30845 211.7
[M]- 460.30955 211.7
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.