CID 2818293

2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C15H12N4O2
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=CC=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C15H12N4O2/c1-9-13(7-16)15(14(8-17)10(2)18-9)11-3-5-12(6-4-11)19(20)21/h3-6,15,18H,1-2H3
InChIKey
GHHCDXCIGHDXQB-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

280.09604 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10332 178.0
[M+Na]+ 303.08526 187.1
[M-H]- 279.08876 180.5
[M+NH4]+ 298.12986 186.3
[M+K]+ 319.05920 179.0
[M+H-H2O]+ 263.09330 164.4
[M+HCOO]- 325.09424 188.1
[M+CH3COO]- 339.10989 222.9
[M+Na-2H]- 301.07071 177.9
[M]+ 280.09549 167.3
[M]- 280.09659 167.3
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

patents stripe