CID 3066563

Brn 5656457

Structural Information

Molecular Formula
C24H24F2N2O4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C(=O)NC3=CC=CC=C3)C)C
InChI
InChI=1S/C24H24F2N2O4/c1-4-31-23(30)20-15(3)27-14(2)19(22(29)28-16-10-6-5-7-11-16)21(20)17-12-8-9-13-18(17)32-24(25)26/h5-13,21,24,27H,4H2,1-3H3,(H,28,29)
InChIKey
XWSCGCLAXSCUKR-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1704 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17768 205.9
[M+Na]+ 465.15962 210.8
[M-H]- 441.16312 210.0
[M+NH4]+ 460.20422 212.2
[M+K]+ 481.13356 205.7
[M+H-H2O]+ 425.16766 193.4
[M+HCOO]- 487.16860 220.7
[M+CH3COO]- 501.18425 232.9
[M+Na-2H]- 463.14507 202.1
[M]+ 442.16985 204.4
[M]- 442.17095 204.4
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.