CID 209763

20353-60-0

Structural Information

Molecular Formula
C23H30N2O5
SMILES
CCOC(=O)C1=C(C(=C2N1CCC3=CC(=C(C=C32)OC)OC)CN4CCOCC4)C
InChI
InChI=1S/C23H30N2O5/c1-5-30-23(26)21-15(2)18(14-24-8-10-29-11-9-24)22-17-13-20(28-4)19(27-3)12-16(17)6-7-25(21)22/h12-13H,5-11,14H2,1-4H3
InChIKey
UUQNBTZCLBNQKR-UHFFFAOYSA-N
Compound name
ethyl 8,9-dimethoxy-2-methyl-1-(morpholin-4-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.21548 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.222756 202.3
[M+Na]+ 437.204698 208.0
[M-H]- 413.208204 207.8
[M+NH4]+ 432.249303 212.4
[M+K]+ 453.178638 205.5
[M+H-H2O]+ 397.212740 192.5
[M+HCOO]- 459.213681 214.1
[M+CH3COO]- 473.229331 228.2
[M+Na-2H]- 435.190146 200.0
[M]+ 414.21493142 206.4
[M]- 414.21602858 206.4
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.