CID 358533

2,6-dimethyl-n,n',4-triphenyl-1,4-dihydropyridine-3,5-dicarboxamide

Structural Information

Molecular Formula
C27H25N3O2
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C27H25N3O2/c1-18-23(26(31)29-21-14-8-4-9-15-21)25(20-12-6-3-7-13-20)24(19(2)28-18)27(32)30-22-16-10-5-11-17-22/h3-17,25,28H,1-2H3,(H,29,31)(H,30,32)
InChIKey
MPCYBPNOLBTPOA-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-N,5-N,4-triphenyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

423.19467 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20195 207.4
[M+Na]+ 446.18389 222.1
[M+NH4]+ 441.22849 213.9
[M+K]+ 462.15783 213.2
[M-H]- 422.18739 216.1
[M+Na-2H]- 444.16934 218.4
[M]+ 423.19412 211.9
[M]- 423.19522 211.9
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

patents stripe