CID 1357611

Cbmicro_028177

Structural Information

Molecular Formula
C25H27NO6
SMILES
CC1=C(C(C(=C(N1C2=CC=C(C=C2)OC)C)C(=O)OC)C3=CC=C(C=C3)OC)C(=O)OC
InChI
InChI=1S/C25H27NO6/c1-15-21(24(27)31-5)23(17-7-11-19(29-3)12-8-17)22(25(28)32-6)16(2)26(15)18-9-13-20(30-4)14-10-18/h7-14,23H,1-6H3
InChIKey
VKKOHZXBRWVCNM-UHFFFAOYSA-N
Compound name
dimethyl 1,4-bis(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

437.18384 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19112 204.6
[M+Na]+ 460.17306 211.9
[M-H]- 436.17656 213.5
[M+NH4]+ 455.21766 212.7
[M+K]+ 476.14700 209.6
[M+H-H2O]+ 420.18110 193.7
[M+HCOO]- 482.18204 222.9
[M+CH3COO]- 496.19769 233.7
[M+Na-2H]- 458.15851 201.4
[M]+ 437.18329 212.2
[M]- 437.18439 212.2
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

No patent data available for this compound.