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]+ 452.18163 206.8
[M+Na]+ 474.16357 209.4
[M-H]- 450.16707 214.8
[M+NH4]+ 469.20817 212.1
[M+K]+ 490.13751 202.8
[M+H-H2O]+ 434.17161 199.9
[M+HCOO]- 496.17255 226.0
[M+CH3COO]- 510.18820 230.8
[M+Na-2H]- 472.14902 207.0
[M]+ 451.17380 207.5
[M]- 451.17490 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.