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

1
Patents

355.14197 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.149246 182.2
[M+Na]+ 378.131188 191.3
[M-H]- 354.134694 184.1
[M+NH4]+ 373.175793 191.7
[M+K]+ 394.105128 186.5
[M+H-H2O]+ 338.139230 168.0
[M+HCOO]- 400.140171 194.3
[M+CH3COO]- 414.155821 218.8
[M+Na-2H]- 376.116636 179.4
[M]+ 355.14142142 180.1
[M]- 355.14251858 180.1
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