CID 6447107

Brn 1181035

Structural Information

Molecular Formula
C19H20N2O7
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)/C=C/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C19H20N2O7/c1-11-16(18(22)26-3)14(17(12(2)20-11)19(23)27-4)8-6-5-7-13-9-10-15(28-13)21(24)25/h5-10,14,20H,1-4H3/b7-5+,8-6+
InChIKey
LFDGMBRDXHJDAU-KQQUZDAGSA-N
Compound name
dimethyl 2,6-dimethyl-4-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.12704 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13432 191.3
[M+Na]+ 411.11626 197.0
[M-H]- 387.11976 196.5
[M+NH4]+ 406.16086 200.5
[M+K]+ 427.09020 190.3
[M+H-H2O]+ 371.12430 188.2
[M+HCOO]- 433.12524 210.3
[M+CH3COO]- 447.14089 210.8
[M+Na-2H]- 409.10171 190.7
[M]+ 388.12649 193.8
[M]- 388.12759 193.8
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.