CID 49777683

4-(9-anthryl)-n5-(2-fluorophenyl)-2,6-dimethyl-n3-(p-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide

Structural Information

Molecular Formula
C36H30FN3O2
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)NC6=CC=CC=C6F)C)C
InChI
InChI=1S/C36H30FN3O2/c1-21-16-18-26(19-17-21)39-35(41)31-22(2)38-23(3)32(36(42)40-30-15-9-8-14-29(30)37)34(31)33-27-12-6-4-10-24(27)20-25-11-5-7-13-28(25)33/h4-20,34,38H,1-3H3,(H,39,41)(H,40,42)
InChIKey
ZXKGLWPZRZNKGS-UHFFFAOYSA-N
Compound name
4-anthracen-9-yl-5-N-(2-fluorophenyl)-2,6-dimethyl-3-N-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

555.2322 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.23948 240.3
[M+Na]+ 578.22142 245.9
[M-H]- 554.22492 249.9
[M+NH4]+ 573.26602 242.8
[M+K]+ 594.19536 236.7
[M+H-H2O]+ 538.22946 225.1
[M+HCOO]- 600.23040 254.2
[M+CH3COO]- 614.24605 244.9
[M+Na-2H]- 576.20687 239.6
[M]+ 555.23165 237.8
[M]- 555.23275 237.8
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.