CID 4431613

Tetramethyl 9ah-quinolizine-1,2,3,4-tetracarboxylate

Structural Information

Molecular Formula
C17H17NO8
SMILES
COC(=O)C1=C(C(=C(N2C1C=CC=C2)C(=O)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C17H17NO8/c1-23-14(19)10-9-7-5-6-8-18(9)13(17(22)26-4)12(16(21)25-3)11(10)15(20)24-2/h5-9H,1-4H3
InChIKey
JGUWBKRVQDICKJ-UHFFFAOYSA-N
Compound name
tetramethyl 9aH-quinolizine-1,2,3,4-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.09543 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10271 175.5
[M+Na]+ 386.08465 182.5
[M-H]- 362.08815 178.8
[M+NH4]+ 381.12925 187.6
[M+K]+ 402.05859 183.3
[M+H-H2O]+ 346.09269 167.8
[M+HCOO]- 408.09363 192.8
[M+CH3COO]- 422.10928 215.6
[M+Na-2H]- 384.07010 175.5
[M]+ 363.09488 183.7
[M]- 363.09598 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.