CID 101196

Tetramethyl 7,9-dimethyl-9ah-quinolizine-1,2,3,4-tetracarboxylate

Structural Information

Molecular Formula
C19H21NO8
SMILES
CC1=CC(=CN2C1C(=C(C(=C2C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
InChI
InChI=1S/C19H21NO8/c1-9-7-10(2)14-12(17(22)26-4)11(16(21)25-3)13(18(23)27-5)15(19(24)28-6)20(14)8-9/h7-8,14H,1-6H3
InChIKey
NIAYDOWGZDIMJA-UHFFFAOYSA-N
Compound name
tetramethyl 7,9-dimethyl-9aH-quinolizine-1,2,3,4-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

391.1267 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.13398 182.9
[M+Na]+ 414.11592 190.8
[M-H]- 390.11942 186.6
[M+NH4]+ 409.16052 194.4
[M+K]+ 430.08986 191.4
[M+H-H2O]+ 374.12396 175.5
[M+HCOO]- 436.12490 199.4
[M+CH3COO]- 450.14055 224.2
[M+Na-2H]- 412.10137 180.7
[M]+ 391.12615 192.7
[M]- 391.12725 192.7
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.