CID 351223

1101-39-9

Structural Information

Molecular Formula
C17H17NO8
SMILES
COC(=O)C1C(=C(C(=C2N1C=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/h5-8,13H,1-4H3
InChIKey
JXDYWRXGPXTCKX-UHFFFAOYSA-N
Compound name
tetramethyl 4H-quinolizine-1,2,3,4-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
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

patents stripe