CID 4167625

1-methyl-4-(4-nitrobenzylidene)-1,4-dihydropyridine

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CN1C=CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C=C1
InChI
InChI=1S/C13H12N2O2/c1-14-8-6-12(7-9-14)10-11-2-4-13(5-3-11)15(16)17/h2-10H,1H3
InChIKey
DRAUPCPPCPEKKF-UHFFFAOYSA-N
Compound name
1-methyl-4-[(4-nitrophenyl)methylidene]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.08987 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.9
[M+Na]+ 251.07909 156.7
[M-H]- 227.08259 155.3
[M+NH4]+ 246.12369 165.7
[M+K]+ 267.05303 148.8
[M+H-H2O]+ 211.08713 146.4
[M+HCOO]- 273.08807 173.2
[M+CH3COO]- 287.10372 184.1
[M+Na-2H]- 249.06454 157.2
[M]+ 228.08932 146.5
[M]- 228.09042 146.5
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

patents stripe