CID 209764

20353-70-2

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CC1=C(N2CCC3=CC(=C(C=C3C2=C1)OC)OC)C(=O)OCCCN4CCCCC4
InChI
InChI=1S/C24H32N2O4/c1-17-14-20-19-16-22(29-3)21(28-2)15-18(19)8-12-26(20)23(17)24(27)30-13-7-11-25-9-5-4-6-10-25/h14-16H,4-13H2,1-3H3
InChIKey
RWTVMFXRXLIRPB-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 8,9-dimethoxy-2-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 203.3
[M+Na]+ 435.22542 207.6
[M-H]- 411.22892 207.5
[M+NH4]+ 430.27002 214.5
[M+K]+ 451.19936 203.2
[M+H-H2O]+ 395.23346 193.0
[M+HCOO]- 457.23440 215.5
[M+CH3COO]- 471.25005 227.3
[M+Na-2H]- 433.21087 200.5
[M]+ 412.23565 205.2
[M]- 412.23675 205.2
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.