CID 128034

Dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C17H16N2O5
SMILES
CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2N=O)C(=O)OC
InChI
InChI=1S/C17H16N2O5/c1-9-13(16(20)23-3)15(11-7-5-6-8-12(11)19-22)14(10(2)18-9)17(21)24-4/h5-8H,1-4H3
InChIKey
MUZLTKGYFZENFW-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-(2-nitrosophenyl)pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

328.10593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11321 172.6
[M+Na]+ 351.09515 181.8
[M-H]- 327.09865 180.5
[M+NH4]+ 346.13975 185.9
[M+K]+ 367.06909 180.5
[M+H-H2O]+ 311.10319 163.5
[M+HCOO]- 373.10413 196.7
[M+CH3COO]- 387.11978 215.7
[M+Na-2H]- 349.08060 174.4
[M]+ 328.10538 180.0
[M]- 328.10648 180.0
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

patents stripe