CID 358533

2,6-dimethyl-n(3),n(5),4-triphenyl-1,4-dihydro-3,5-pyridinedicarboxamide

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 204.4
[M+Na]+ 446.18389 207.9
[M-H]- 422.18739 213.7
[M+NH4]+ 441.22849 210.5
[M+K]+ 462.15783 200.7
[M+H-H2O]+ 406.19193 192.4
[M+HCOO]- 468.19287 223.1
[M+CH3COO]- 482.20852 211.5
[M+Na-2H]- 444.16934 205.2
[M]+ 423.19412 200.0
[M]- 423.19522 200.0
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