CID 984677

121497-05-0

Structural Information

Molecular Formula
C19H21NO6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C19H21NO6/c1-10-14(18(22)25-4)16(15(11(2)20-10)19(23)26-5)12-6-8-13(9-7-12)17(21)24-3/h6-9,16,20H,1-5H3
InChIKey
QFQGWFBVXYYUPD-UHFFFAOYSA-N
Compound name
dimethyl 4-(4-methoxycarbonylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

359.1369 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14418 181.0
[M+Na]+ 382.12612 188.0
[M-H]- 358.12962 185.5
[M+NH4]+ 377.17072 191.9
[M+K]+ 398.10006 186.2
[M+H-H2O]+ 342.13416 172.7
[M+HCOO]- 404.13510 198.2
[M+CH3COO]- 418.15075 214.7
[M+Na-2H]- 380.11157 178.6
[M]+ 359.13635 185.6
[M]- 359.13745 185.6
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