CID 6447109

Brn 1161237

Structural Information

Molecular Formula
C19H21NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)/C=C/C=C/C2=CC=CO2)C(=O)OC
InChI
InChI=1S/C19H21NO5/c1-12-16(18(21)23-3)15(17(13(2)20-12)19(22)24-4)10-6-5-8-14-9-7-11-25-14/h5-11,15,20H,1-4H3/b8-5+,10-6+
InChIKey
UZVGKLQLSSEZSB-YLDLMLGBSA-N
Compound name
dimethyl 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

343.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14925 181.6
[M+Na]+ 366.13119 188.6
[M-H]- 342.13469 186.5
[M+NH4]+ 361.17579 193.7
[M+K]+ 382.10513 185.5
[M+H-H2O]+ 326.13923 174.2
[M+HCOO]- 388.14017 199.7
[M+CH3COO]- 402.15582 208.7
[M+Na-2H]- 364.11664 179.0
[M]+ 343.14142 185.5
[M]- 343.14252 185.5
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.