CID 341123

58395-11-2

Structural Information

Molecular Formula
C27H24N4O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C27H24N4O4/c1-17-23(26(32)29-20-11-5-3-6-12-20)25(19-10-9-15-22(16-19)31(34)35)24(18(2)28-17)27(33)30-21-13-7-4-8-14-21/h3-16,25,28H,1-2H3,(H,29,32)(H,30,33)
InChIKey
CJWAZFJYGNNKTQ-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(3-nitrophenyl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

468.17975 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.18703 211.0
[M+Na]+ 491.16897 212.4
[M-H]- 467.17247 220.3
[M+NH4]+ 486.21357 214.0
[M+K]+ 507.14291 202.3
[M+H-H2O]+ 451.17701 202.8
[M+HCOO]- 513.17795 230.2
[M+CH3COO]- 527.19360 233.6
[M+Na-2H]- 489.15442 213.3
[M]+ 468.17920 205.5
[M]- 468.18030 205.5
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.