CID 3042514

59880-25-0

Structural Information

Molecular Formula
C20H21NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC#C)C2=CC=CC=C2OC)C(=O)OC
InChI
InChI=1S/C20H21NO5/c1-6-11-26-20(23)17-13(3)21-12(2)16(19(22)25-5)18(17)14-9-7-8-10-15(14)24-4/h1,7-10,18,21H,11H2,2-5H3
InChIKey
POUFQQJKLZTNPN-UHFFFAOYSA-N
Compound name
3-O-methyl 5-O-prop-2-ynyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

355.14197 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 179.6
[M+Na]+ 378.13119 191.2
[M+NH4]+ 373.17579 181.0
[M+K]+ 394.10513 183.2
[M-H]- 354.13469 172.6
[M+Na-2H]- 376.11664 180.7
[M]+ 355.14142 178.3
[M]- 355.14252 178.3
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

patents stripe