CID 463623

2,6-dimethyl-n3,n5-bis(3-nitrophenyl)-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide

Structural Information

Molecular Formula
C27H23N5O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C27H23N5O6/c1-16-23(26(33)29-19-10-6-12-21(14-19)31(35)36)25(18-8-4-3-5-9-18)24(17(2)28-16)27(34)30-20-11-7-13-22(15-20)32(37)38/h3-15,25,28H,1-2H3,(H,29,33)(H,30,34)
InChIKey
MQKFZMQASQSECM-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-N,5-N-bis(3-nitrophenyl)-4-phenyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

513.16486 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.17214 217.7
[M+Na]+ 536.15408 216.5
[M-H]- 512.15758 226.5
[M+NH4]+ 531.19868 217.4
[M+K]+ 552.12802 203.6
[M+H-H2O]+ 496.16212 213.1
[M+HCOO]- 558.16306 236.5
[M+CH3COO]- 572.17871 235.3
[M+Na-2H]- 534.13953 221.8
[M]+ 513.16431 210.6
[M]- 513.16541 210.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.