CID 15827588

1,2-diethyl 3-methyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate

Structural Information

Molecular Formula
C20H19NO6
SMILES
CCOC(=O)C1=C2C3=CC=CC=C3C=CN2C(=C1C(=O)OCC)C(=O)OC
InChI
InChI=1S/C20H19NO6/c1-4-26-18(22)14-15(19(23)27-5-2)17(20(24)25-3)21-11-10-12-8-6-7-9-13(12)16(14)21/h6-11H,4-5H2,1-3H3
InChIKey
FFASPUSXQQDNRW-UHFFFAOYSA-N
Compound name
1-O,2-O-diethyl 3-O-methyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12125 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 184.7
[M+Na]+ 392.11047 193.6
[M-H]- 368.11397 189.6
[M+NH4]+ 387.15507 199.7
[M+K]+ 408.08441 191.3
[M+H-H2O]+ 352.11851 177.2
[M+HCOO]- 414.11945 204.6
[M+CH3COO]- 428.13510 217.2
[M+Na-2H]- 390.09592 185.8
[M]+ 369.12070 194.6
[M]- 369.12180 194.6
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.