CID 1116476

Diisopropyl 2,6-dimethyl-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate

Structural Information

Molecular Formula
C19H25NO4S
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CS2)C(=O)OC(C)C
InChI
InChI=1S/C19H25NO4S/c1-10(2)23-18(21)15-12(5)20-13(6)16(19(22)24-11(3)4)17(15)14-8-7-9-25-14/h7-11,17,20H,1-6H3
InChIKey
KNKSUPJXMOAWAC-UHFFFAOYSA-N
Compound name
dipropan-2-yl 2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

30
Patents

363.15042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15770 187.2
[M+Na]+ 386.13964 195.9
[M+NH4]+ 381.18424 192.3
[M+K]+ 402.11358 192.1
[M-H]- 362.14314 187.6
[M+Na-2H]- 384.12509 188.9
[M]+ 363.14987 188.7
[M]- 363.15097 188.7
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