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]+ 415.22276 202.3
[M+Na]+ 437.20470 208.0
[M-H]- 413.20820 207.8
[M+NH4]+ 432.24930 212.4
[M+K]+ 453.17864 205.5
[M+H-H2O]+ 397.21274 192.5
[M+HCOO]- 459.21368 214.1
[M+CH3COO]- 473.22933 228.2
[M+Na-2H]- 435.19015 200.0
[M]+ 414.21493 206.4
[M]- 414.21603 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.