CID 3053280

Pyrrolo(2,1-a)isoquinoline, 2-(p-(diethylaminoethyl)phenyl)-8,9-dimethoxy-1-(3,4-dimethoxyphenyl)-

Structural Information

Molecular Formula
C34H38N2O4
SMILES
CCN(CC)CCC1=CC=C(C=C1)C2=CN3C=CC4=CC(=C(C=C4C3=C2C5=CC(=C(C=C5)OC)OC)OC)OC
InChI
InChI=1S/C34H38N2O4/c1-7-35(8-2)17-15-23-9-11-24(12-10-23)28-22-36-18-16-25-19-31(39-5)32(40-6)21-27(25)34(36)33(28)26-13-14-29(37-3)30(20-26)38-4/h9-14,16,18-22H,7-8,15,17H2,1-6H3
InChIKey
KSILPRBRLPQJNF-UHFFFAOYSA-N
Compound name
2-[4-[1-(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinolin-2-yl]phenyl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.28314 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.29042 240.4
[M+Na]+ 561.27236 257.3
[M+NH4]+ 556.31696 247.5
[M+K]+ 577.24630 248.1
[M-H]- 537.27586 248.6
[M+Na-2H]- 559.25781 248.0
[M]+ 538.28259 245.5
[M]- 538.28369 245.5
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.