CID 3055961

73200-69-8

Structural Information

Molecular Formula
C33H36N2O4
SMILES
CN(C)CCCC1=CC=C(C=C1)C2=CN3C=CC4=CC(=C(C=C4C3=C2C5=CC(=C(C=C5)OC)OC)OC)OC
InChI
InChI=1S/C33H36N2O4/c1-34(2)16-7-8-22-9-11-23(12-10-22)27-21-35-17-15-24-18-30(38-5)31(39-6)20-26(24)33(35)32(27)25-13-14-28(36-3)29(19-25)37-4/h9-15,17-21H,7-8,16H2,1-6H3
InChIKey
FYPJIAANPCRBMZ-UHFFFAOYSA-N
Compound name
3-[4-[1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-2-yl]phenyl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.2675 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.27478 235.9
[M+Na]+ 547.25672 253.1
[M+NH4]+ 542.30132 243.2
[M+K]+ 563.23066 244.1
[M-H]- 523.26022 244.2
[M+Na-2H]- 545.24217 243.7
[M]+ 524.26695 241.1
[M]- 524.26805 241.1
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.