CID 463622

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

Structural Information

Molecular Formula
C27H23N5O7
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C27H23N5O7/c1-15-23(26(34)29-17-7-5-9-19(13-17)31(36)37)25(21-11-3-4-12-22(21)33)24(16(2)28-15)27(35)30-18-8-6-10-20(14-18)32(38)39/h3-14,25,28,33H,1-2H3,(H,29,34)(H,30,35)
InChIKey
REPJMEMFQREKIT-UHFFFAOYSA-N
Compound name
4-(2-hydroxyphenyl)-2,6-dimethyl-3-N,5-N-bis(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

529.1597 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.16698 219.5
[M+Na]+ 552.14892 218.3
[M-H]- 528.15242 227.4
[M+NH4]+ 547.19352 218.1
[M+K]+ 568.12286 205.8
[M+H-H2O]+ 512.15696 215.2
[M+HCOO]- 574.15790 237.0
[M+CH3COO]- 588.17355 236.6
[M+Na-2H]- 550.13437 223.3
[M]+ 529.15915 212.5
[M]- 529.16025 212.5
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.