CID 3076990

Brn 4278590

Structural Information

Molecular Formula
C24H25N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N(C)OCC3=CC=CC=C3
InChI
InChI=1S/C24H25N3O6/c1-15-20(23(28)26(3)33-14-17-9-6-5-7-10-17)22(21(16(2)25-15)24(29)32-4)18-11-8-12-19(13-18)27(30)31/h5-13,22,25H,14H2,1-4H3
InChIKey
GEBNHJAJLJDKMI-UHFFFAOYSA-N
Compound name
methyl 2,6-dimethyl-5-[methyl(phenylmethoxy)carbamoyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.17435 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.181626 206.8
[M+Na]+ 474.163568 209.4
[M-H]- 450.167074 214.8
[M+NH4]+ 469.208173 212.1
[M+K]+ 490.137508 202.8
[M+H-H2O]+ 434.171610 199.9
[M+HCOO]- 496.172551 226.0
[M+CH3COO]- 510.188201 230.8
[M+Na-2H]- 472.149016 207.0
[M]+ 451.17380142 207.5
[M]- 451.17489858 207.5
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.