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]+ 370.128526 184.7
[M+Na]+ 392.110468 193.6
[M-H]- 368.113974 189.6
[M+NH4]+ 387.155073 199.7
[M+K]+ 408.084408 191.3
[M+H-H2O]+ 352.118510 177.2
[M+HCOO]- 414.119451 204.6
[M+CH3COO]- 428.135101 217.2
[M+Na-2H]- 390.095916 185.8
[M]+ 369.12070142 194.6
[M]- 369.12179858 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.