CID 68600597

1050477-44-5

Structural Information

Molecular Formula
C24H24N4O4
SMILES
CCOC1=NC=C(C2=C1C(C(=C(N2)C)C(=O)OCCC#N)C3=C(C=C(C=C3)C#N)OC)C
InChI
InChI=1S/C24H24N4O4/c1-5-31-23-21-20(17-8-7-16(12-26)11-18(17)30-4)19(24(29)32-10-6-9-25)15(3)28-22(21)14(2)13-27-23/h7-8,11,13,20,28H,5-6,10H2,1-4H3
InChIKey
AZFZQYUDLXNVMW-UHFFFAOYSA-N
Compound name
2-cyanoethyl 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

432.17975 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18703 211.8
[M+Na]+ 455.16897 221.0
[M+NH4]+ 450.21357 210.3
[M+K]+ 471.14291 209.9
[M-H]- 431.17247 201.9
[M+Na-2H]- 453.15442 209.2
[M]+ 432.17920 209.0
[M]- 432.18030 209.0
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