CID 3063367

Brn 5669075

Structural Information

Molecular Formula
C28H25F2N3O3
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC(F)F)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C28H25F2N3O3/c1-17-23(26(34)32-19-11-5-3-6-12-19)25(21-15-9-10-16-22(21)36-28(29)30)24(18(2)31-17)27(35)33-20-13-7-4-8-14-20/h3-16,25,28,31H,1-2H3,(H,32,34)(H,33,35)
InChIKey
NBTYGNBBPXMGKP-UHFFFAOYSA-N
Compound name
4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.1864 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.19368 218.3
[M+Na]+ 512.17562 221.7
[M-H]- 488.17912 225.0
[M+NH4]+ 507.22022 221.6
[M+K]+ 528.14956 215.0
[M+H-H2O]+ 472.18366 204.2
[M+HCOO]- 534.18460 233.6
[M+CH3COO]- 548.20025 243.8
[M+Na-2H]- 510.16107 215.6
[M]+ 489.18585 213.5
[M]- 489.18695 213.5
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.