CID 49777685

4-(9-anthryl)-n3,n5-bis(3-chloro-4-fluoro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide

Structural Information

Molecular Formula
C35H25Cl2F2N3O2
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)F)Cl)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)NC6=CC(=C(C=C6)F)Cl
InChI
InChI=1S/C35H25Cl2F2N3O2/c1-18-30(34(43)41-22-11-13-28(38)26(36)16-22)33(31(19(2)40-18)35(44)42-23-12-14-29(39)27(37)17-23)32-24-9-5-3-7-20(24)15-21-8-4-6-10-25(21)32/h3-17,33,40H,1-2H3,(H,41,43)(H,42,44)
InChIKey
ICIRRNWMJXDYOU-UHFFFAOYSA-N
Compound name
4-anthracen-9-yl-3-N,5-N-bis(3-chloro-4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

627.1292 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.13648 249.7
[M+Na]+ 650.11842 258.9
[M-H]- 626.12192 257.7
[M+NH4]+ 645.16302 251.8
[M+K]+ 666.09236 248.6
[M+H-H2O]+ 610.12646 235.3
[M+HCOO]- 672.12740 254.2
[M+CH3COO]- 686.14305 254.0
[M+Na-2H]- 648.10387 246.7
[M]+ 627.12865 252.5
[M]- 627.12975 252.5
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.