CID 3043290

Brn 0628629

Structural Information

Molecular Formula
C15H16N2O7
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C15H16N2O7/c1-7-11(14(18)22-3)13(9-5-6-10(24-9)17(20)21)12(8(2)16-7)15(19)23-4/h5-6,13,16H,1-4H3
InChIKey
PORVRFWSTDKDPM-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-(5-nitrofuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09576 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10304 173.8
[M+Na]+ 359.08498 180.5
[M-H]- 335.08848 179.6
[M+NH4]+ 354.12958 185.2
[M+K]+ 375.05892 175.9
[M+H-H2O]+ 319.09302 171.2
[M+HCOO]- 381.09396 193.7
[M+CH3COO]- 395.10961 201.9
[M+Na-2H]- 357.07043 175.3
[M]+ 336.09521 176.5
[M]- 336.09631 176.5
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.