CID 3076988

Brn 4275268

Structural Information

Molecular Formula
C20H23N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)OCC=C
InChI
InChI=1S/C20H23N3O6/c1-6-10-29-22(4)19(24)16-12(2)21-13(3)17(20(25)28-5)18(16)14-8-7-9-15(11-14)23(26)27/h6-9,11,18,21H,1,10H2,2-5H3
InChIKey
NTCODPQODQSHQV-UHFFFAOYSA-N
Compound name
methyl 2,6-dimethyl-5-[methyl(prop-2-enoxy)carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1587 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16598 191.9
[M+Na]+ 424.14792 202.5
[M+NH4]+ 419.19252 195.3
[M+K]+ 440.12186 201.3
[M-H]- 400.15142 194.3
[M+Na-2H]- 422.13337 195.1
[M]+ 401.15815 193.5
[M]- 401.15925 193.5
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.