CID 395884

Nsc700979

Structural Information

Molecular Formula
C25H26N2O6
SMILES
CCOC(=O)CC1C(=CN2C3=CC=CC4=C3C(=CC=C4)NC2=C1C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C25H26N2O6/c1-4-31-20(28)13-16-17(24(29)32-5-2)14-27-19-12-8-10-15-9-7-11-18(21(15)19)26-23(27)22(16)25(30)33-6-3/h7-12,14,16,26H,4-6,13H2,1-3H3
InChIKey
LUDLNVJTMPZHTA-UHFFFAOYSA-N
Compound name
diethyl 9-(2-ethoxy-2-oxoethyl)-7,9-dihydropyrido[1,2-a]perimidine-8,10-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.17908 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.18636 208.7
[M+Na]+ 473.16830 215.2
[M-H]- 449.17180 209.8
[M+NH4]+ 468.21290 217.0
[M+K]+ 489.14224 211.1
[M+H-H2O]+ 433.17634 198.0
[M+HCOO]- 495.17728 220.7
[M+CH3COO]- 509.19293 233.5
[M+Na-2H]- 471.15375 211.1
[M]+ 450.17853 217.0
[M]- 450.17963 217.0
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.