CID 49777679

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

Structural Information

Molecular Formula
C35H27FN4O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2F)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C35H27FN4O4/c1-20-30(34(41)38-24-15-17-25(18-16-24)40(43)44)33(31(21(2)37-20)35(42)39-29-14-8-7-13-28(29)36)32-26-11-5-3-9-22(26)19-23-10-4-6-12-27(23)32/h3-19,33,37H,1-2H3,(H,38,41)(H,39,42)
InChIKey
KPWDCQCVBPFWBP-UHFFFAOYSA-N
Compound name
4-anthracen-9-yl-5-N-(2-fluorophenyl)-2,6-dimethyl-3-N-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.20166 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.20894 239.6
[M+Na]+ 609.19088 241.8
[M-H]- 585.19438 248.8
[M+NH4]+ 604.23548 239.2
[M+K]+ 625.16482 230.4
[M+H-H2O]+ 569.19892 228.2
[M+HCOO]- 631.19986 254.2
[M+CH3COO]- 645.21551 258.4
[M+Na-2H]- 607.17633 242.3
[M]+ 586.20111 235.3
[M]- 586.20221 235.3
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.