CID 297881

Nsc680501

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CCOC(=O)C1=C(N=C(C(=C1C2=CC=C(C=C2)N(C)C)C(=O)OCC)C)C
InChI
InChI=1S/C21H26N2O4/c1-7-26-20(24)17-13(3)22-14(4)18(21(25)27-8-2)19(17)15-9-11-16(12-10-15)23(5)6/h9-12H,7-8H2,1-6H3
InChIKey
WXSRHYWHKVWNGE-UHFFFAOYSA-N
Compound name
diethyl 4-[4-(dimethylamino)phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

370.18927 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 189.2
[M+Na]+ 393.178488 196.3
[M-H]- 369.181994 196.4
[M+NH4]+ 388.223093 201.0
[M+K]+ 409.152428 194.6
[M+H-H2O]+ 353.186530 179.7
[M+HCOO]- 415.187471 210.6
[M+CH3COO]- 429.203121 227.0
[M+Na-2H]- 391.163936 187.6
[M]+ 370.18872142 196.7
[M]- 370.18981858 196.7
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