CID 6447108

71160-18-4

Structural Information

Molecular Formula
C21H25NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1/C=C/C=C/C2=CC=CO2)C(=O)OCC)C)C
InChI
InChI=1S/C21H25NO5/c1-5-25-20(23)18-14(3)22-15(4)19(21(24)26-6-2)17(18)12-8-7-10-16-11-9-13-27-16/h7-13,17,22H,5-6H2,1-4H3/b10-7+,12-8+
InChIKey
ZPWHELMPAATOMD-SMTGYRLFSA-N
Compound name
diethyl 4-[(1E,3E)-4-(furan-2-yl)buta-1,3-dienyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 190.8
[M+Na]+ 394.16250 197.0
[M-H]- 370.16600 195.3
[M+NH4]+ 389.20710 201.8
[M+K]+ 410.13644 193.4
[M+H-H2O]+ 354.17054 183.0
[M+HCOO]- 416.17148 208.3
[M+CH3COO]- 430.18713 214.6
[M+Na-2H]- 392.14795 187.2
[M]+ 371.17273 195.4
[M]- 371.17383 195.4
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

No patent data available for this compound.