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

20
Patents

370.18927 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 189.2
[M+Na]+ 393.17849 196.3
[M-H]- 369.18199 196.4
[M+NH4]+ 388.22309 201.0
[M+K]+ 409.15243 194.6
[M+H-H2O]+ 353.18653 179.7
[M+HCOO]- 415.18747 210.6
[M+CH3COO]- 429.20312 227.0
[M+Na-2H]- 391.16394 187.6
[M]+ 370.18872 196.7
[M]- 370.18982 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