CID 3111000

13848-50-5

Structural Information

Molecular Formula
C21H19NO8
SMILES
COC(=O)C1=C(C(=C(N2C1C3=CC=CC=C3C=C2)C(=O)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C21H19NO8/c1-27-18(23)13-14(19(24)28-2)16-12-8-6-5-7-11(12)9-10-22(16)17(21(26)30-4)15(13)20(25)29-3/h5-10,16H,1-4H3
InChIKey
KYHISUHKDYOMRA-UHFFFAOYSA-N
Compound name
tetramethyl 11bH-benzo[h]quinolizine-1,2,3,4-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.11105 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11833 189.9
[M+Na]+ 436.10027 196.7
[M-H]- 412.10377 193.8
[M+NH4]+ 431.14487 200.7
[M+K]+ 452.07421 196.5
[M+H-H2O]+ 396.10831 181.3
[M+HCOO]- 458.10925 205.1
[M+CH3COO]- 472.12490 226.7
[M+Na-2H]- 434.08572 190.3
[M]+ 413.11050 198.3
[M]- 413.11160 198.3
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.