CID 4207355

14754-37-1

Structural Information

Molecular Formula
C20H20N2O8
SMILES
CN1C2C(=C(C(=C(N2C3=CC=CC=C31)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C20H20N2O8/c1-21-10-8-6-7-9-11(10)22-15(20(26)30-5)13(18(24)28-3)12(17(23)27-2)14(16(21)22)19(25)29-4/h6-9,16H,1-5H3
InChIKey
AFAXEAQCHJBOFR-UHFFFAOYSA-N
Compound name
tetramethyl 5-methyl-4aH-pyrido[1,2-a]benzimidazole-1,2,3,4-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.12198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12926 191.4
[M+Na]+ 439.11120 199.3
[M-H]- 415.11470 194.8
[M+NH4]+ 434.15580 203.0
[M+K]+ 455.08514 199.1
[M+H-H2O]+ 399.11924 184.1
[M+HCOO]- 461.12018 206.4
[M+CH3COO]- 475.13583 227.5
[M+Na-2H]- 437.09665 189.3
[M]+ 416.12143 201.3
[M]- 416.12253 201.3
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.