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]+ 402.165976 192.8
[M+Na]+ 424.147918 197.0
[M-H]- 400.151424 198.1
[M+NH4]+ 419.192523 201.0
[M+K]+ 440.121858 190.8
[M+H-H2O]+ 384.155960 188.0
[M+HCOO]- 446.156901 212.6
[M+CH3COO]- 460.172551 221.9
[M+Na-2H]- 422.133366 192.7
[M]+ 401.15815142 194.3
[M]- 401.15924858 194.3
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.